Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(phenylsulfanyl)ethyl]glycinamide

Catalog ID
STL541882
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)NCCSc2ccccc2)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 C31H35N3O6S MW 577.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O6S/c1-19(35)34-24-12-10-20-16-27(38-2)30(39-3)31(40-4)29(20)22-11-13-25(26(36)17-23(22)24)33-18-28(37)32-14-15-41-21-8-6-5-7-9-21/h5-9,11,13,16-17,24H,10,12,14-15,18H2,1-4H3,(H,32,37)(H,33,36)(H,34,35)/t24-/m0/s1
InChIKey
RPORCOIZZBEDTI-DEOSSOPVSA-N
Synonyms
1574380-19-0
(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(phenylthio)ethyl)acetamide
1574380190
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2phenylsulfanylethyl)acetamide
75492106
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)NCCSc2ccccc2)NC(=O)C)cc(c1OC)OC
InChI=1SC31H35N3O6Sc119(35)34241210201627(382)30(393)31(404)29(20)22111325(26(36)1723(22)24)331828(37)32141541218657921h591113161724H1012141518H214H3(H3237)(H3336)(H3435)t24m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(phenylsulfanyl)ethyl)glycinamide
ZINC000108450295
ZINC108450295

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Available files

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