Vitas-M small molecule compound

dimethyl 2,2'-[benzene-1,4-diylbis(carbonylimino)]bis[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate]

Catalog ID
STK421145
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)C(=O)Nc2sc3c(c2C(=O)OC)CCC(C3)C(CC)(C)C)sc2c1CCC(C2)C(CC)(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 C38H48N2O6S2 MW 692.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N2O6S2/c1-9-37(3,4)23-15-17-25-27(19-23)47-33(29(25)35(43)45-7)39-31(41)21-11-13-22(14-12-21)32(42)40-34-30(36(44)46-8)26-18-16-24(20-28(26)48-34)38(5,6)10-2/h11-14,23-24H,9-10,15-20H2,1-8H3,(H,39,41)(H,40,42)
InChIKey
MZJFPKZILOHYIE-UHFFFAOYSA-N
Synonyms
353774-01-3
353774013
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)CC)C(=O)OC
dimethyl22(benzene14diylbis(carbonylimino))bis(6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate)
InChI=1SC38H48N2O6S2c1937(34)2315172527(1923)4733(29(25)35(43)457)3931(41)21111322(141221)32(42)403430(36(44)468)26181624(2028(26)4834)38(56)102h11142324H9101520H218H3(H3941)(H4042)
methyl2((4((3methoxycarbonyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)benzoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01921761
ZINC000008443930
ZINC000008443934

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Available files

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