Vitas-M small molecule compound

N-[4-(acetylamino)phenyl]-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]glycinamide

Catalog ID
STL545773
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)Nc2ccc(cc2)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 C31H34N4O7 MW 574.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N4O7/c1-17(36)33-20-7-9-21(10-8-20)35-28(39)16-32-25-13-11-22-23(15-26(25)38)24(34-18(2)37)12-6-19-14-27(40-3)30(41-4)31(42-5)29(19)22/h7-11,13-15,24H,6,12,16H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,35,39)/t24-/m0/s1
InChIKey
PFKBPQJXJHUKLJ-DEOSSOPVSA-N
Synonyms
1574390-38-7
(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4acetamidophenyl)acetamide
~(N)(4acetamidophenyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)acetamide
1574390387
75491786
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)Nc2ccc(cc2)NC(=O)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H34N4O7c117(36)33207921(10820)3528(39)16322513112223(1526(25)38)24(3418(2)37)126191427(403)30(414)31(425)29(19)22h711131524H61216H215H3(H3238)(H3336)(H3437)(H3539)t24m0s1
N(4(acetylamino)phenyl)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)glycinamide
ZINC000108449538
ZINC108449538

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Available files

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