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4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]butanamide

Catalog ID
STL544416
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2n[nH]c(n2)CCC2CCCC2)NC(=O)C)cc(c1OC)OC

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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 C34H44N6O6 MW 632.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H44N6O6/c1-20(41)36-25-14-12-22-18-28(44-2)32(45-3)33(46-4)31(22)23-13-15-26(27(42)19-24(23)25)35-17-7-10-30(43)38-34-37-29(39-40-34)16-11-21-8-5-6-9-21/h13,15,18-19,21,25H,5-12,14,16-17H2,1-4H3,(H,35,42)(H,36,41)(H2,37,38,39,40,43)/t25-/m0/s1
InChIKey
OQBKMNDTYUDCES-VWLOTQADSA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(2cyclopentylethyl)1H124triazol3yl)butanamide
110207596
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2cyclopentylethyl)1~(H)124triazol3yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(2cyclopentylethyl)1H124triazol3yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2n(nH)c(n2)CCC2CCCC2)NC(=O)C)cc(c1OC)OC
InChI=1SC34H44N6O6c120(41)36251412221828(442)32(453)33(464)31(22)23131526(27(42)1924(23)25)351771030(43)38343729(394034)161121856921h131518192125H512141617H214H3(H3542)(H3641)(H23738394043)t25m0s1
ZINC000253411456
ZINC253411456

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Available files

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