Vitas-M small molecule compound

N-[(7S)-1,2,3-trimethoxy-9-oxo-10-{[6-oxo-6-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)hexyl]amino}-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL544969
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)N2CCc3c(C2)c2ccccc2[nH]3)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 C38H44N4O6 MW 652.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N4O6/c1-23(43)40-30-15-13-24-20-34(46-2)37(47-3)38(48-4)36(24)26-14-16-32(33(44)21-27(26)30)39-18-9-5-6-12-35(45)42-19-17-31-28(22-42)25-10-7-8-11-29(25)41-31/h7-8,10-11,14,16,20-21,30,41H,5-6,9,12-13,15,17-19,22H2,1-4H3,(H,39,44)(H,40,43)/
InChIKey
HAWHCCLLYALSLG-PMERELPUSA-N
Synonyms
1574380-03-2
(S)N(10((6(34dihydro1Hpyrido(43b)indol2(5H)yl)6oxohexyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10((6oxo6(1345tetrahydropyrido(43b)indol2yl)hexyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574380032
75491870
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)N2CCc3c(C2)c2ccccc2(nH)3)NC(=O)C)cc(c1OC)OC
InChI=1SC38H44N4O6c123(43)40301513242034(462)37(473)38(484)36(24)26141632(33(44)2127(26)30)39189561235(45)4219173128(2242)2510781129(25)4131h781011141620213041H569121315171922H214H3(H3944)(H4043)t30m0s1
N((7S)123trimethoxy9oxo10((6oxo6(1345tetrahydro2Hpyrido(43b)indol2yl)hexyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653512
ZINC150653512

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Available files

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