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N-[5-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-2-chlorophenyl]-4,4-dimethyl-2-(4-nitro-2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}phenoxy)-3-oxopentanamide

Catalog ID
STK067844
SMILES CCC(c1cc(ccc1OCCCC(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)Oc1ccc(cc1CSc1nnnn1c1ccccc1)[N+](=O)[O-])Cl)C(CC)(C)C)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C47H56ClN7O7S MW 898.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H56ClN7O7S/c1-10-46(6,7)31-19-23-39(35(27-31)47(8,9)11-2)61-25-15-18-40(56)49-32-20-22-36(48)37(28-32)50-43(58)41(42(57)45(3,4)5)62-38-24-21-34(55(59)60)26-30(38)29-63-44-51-52-53-54(44)33-16-13-12-14-17-33/h12-14,16-17,19-24,26-28,41H,10-11,1
InChIKey
NFRSHBSRJAEGTH-UHFFFAOYSA-N
Synonyms

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=C(C=C(C=C3)(N+)(=O)(O))CSC4=NN=NN4C5=CC=CC=C5)C(C)(C)CC
CCC(c1cc(ccc1OCCCC(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)Oc1ccc(cc1CSc1nnnn1c1ccccc1)(N+)(=O)(O))Cl)C(CC)(C)C)(C)C
InChI=1SC47H56ClN7O7Sc11046(67)31192339(35(2731)47(89)112)6125151840(56)4932202236(48)37(2832)5043(58)41(42(57)45(34)5)6238242134(55(59)60)2630(38)29634451525354(44)33161312141733h121416171924262841H101115182529H219H3(H4956)(H5058)
MFCD00309023
N(2chloro5(4(24ditertpentylphenoxy)butanamido)phenyl)44dimethyl2(4nitro2(((1phenyl1Htetrazol5yl)thio)methyl)phenoxy)3oxopentanamide
N(5((4(24BIS(2METHYLBUTAN2YL)PHENOXY)BUTANOYL)AMINO)2CHLOROPHENYL)44DIMETHYL2(4NITRO2(((1PHENYL1HTETRAZOL5YL)SULFANYL)METHYL)PHENOXY)3OXOPENTANAMIDE
N(5(4(24BIS(2METHYLBUTAN2YL)PHENOXY)BUTANOYLAMINO)2CHLOROPHENYL)44DIMETHYL2(4NITRO2((1PHENYLTETRAZOL5YL)SULFANYLMETHYL)PHENOXY)3OXOPENTANAMIDE
STK067844
ZINC000150409112
ZINC000150409116

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Available files

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