Vitas-M small molecule compound

N-[3-(acetylamino)phenyl]-6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanamide

Catalog ID
STL540929
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2cccc(c2)NC(=O)C)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 C35H42N4O7 MW 630.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N4O7/c1-21(40)37-24-10-9-11-25(19-24)39-32(43)12-7-6-8-17-36-29-16-14-26-27(20-30(29)42)28(38-22(2)41)15-13-23-18-31(44-3)34(45-4)35(46-5)33(23)26/h9-11,14,16,18-20,28H,6-8,12-13,15,17H2,1-5H3,(H,36,42)(H,37,40)(H,38,41)(H,39,43)/t28-/m0/s1
InChIKey
FVCHRLRBNOERCM-NDEPHWFRSA-N
Synonyms
1574338-27-4
(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3acetamidophenyl)hexanamide
~(N)(3acetamidophenyl)6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanamide
1574338274
75491670
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2cccc(c2)NC(=O)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H42N4O7c121(40)37241091125(1924)3932(43)1276817362916142627(2030(29)42)28(3822(2)41)1513231831(443)34(454)35(465)33(23)26h9111416182028H6812131517H215H3(H3642)(H3740)(H3841)(H3943)t28m0s1
N(3(acetylamino)phenyl)6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamide
ZINC000108449230
ZINC108449230

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.