Vitas-M small molecule compound

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

Catalog ID
STL542013
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2cccc3c2ccn3C(C)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 C38H46N4O6 MW 654.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O6/c1-23(2)42-20-18-27-29(11-10-12-32(27)42)41-35(45)13-8-7-9-19-39-31-17-15-26-28(22-33(31)44)30(40-24(3)43)16-14-25-21-34(46-4)37(47-5)38(48-6)36(25)26/h10-12,15,17-18,20-23,30H,7-9,13-14,16,19H2,1-6H3,(H,39,44)(H,40,43)(H,41,45)/t30-/m
InChIKey
JZAVZOOVCMBBEZ-PMERELPUSA-N
Synonyms
1574289-97-6
(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1isopropyl1Hindol4yl)hexanamide
1574289976
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1propan2ylindol4yl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(propan2yl)1Hindol4yl)hexanamide
75491679
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2cccc3c2ccn3C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC38H46N4O6c123(2)4220182729(11101232(27)42)4135(45)1387919393117152628(2233(31)44)30(4024(3)43)1614252134(464)37(475)38(486)36(25)26h1012151718202330H7913141619H216H3(H3944)(H4043)(H4145)t30m0s1
ZINC000150653424
ZINC150653424

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Available files

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