Vitas-M small molecule compound

N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide

Catalog ID
STL530530
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NC(=O)CN2C(=O)c3c(C2=O)cccc3)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 C31H29N3O8 MW 571.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O8/c1-16(35)32-22-11-9-17-13-25(40-2)28(41-3)29(42-4)27(17)18-10-12-23(24(36)14-21(18)22)33-26(37)15-34-30(38)19-7-5-6-8-20(19)31(34)39/h5-8,10,12-14,22H,9,11,15H2,1-4H3,(H,32,35)(H,33,36,37)/t22-/m0/s1
InChIKey
LNGZCPDFDMUMMP-QFIPXVFZSA-N
Synonyms
1212301-65-9
(S)N(7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)2(13dioxoisoindolin2yl)acetamide
~(N)((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)2(13dioxoisoindol2yl)acetamide
1212301659
16405611
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NC(=O)CN2C(=O)c3c(C2=O)cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC31H29N3O8c116(35)3222119171325(402)28(413)29(424)27(17)18101223(24(36)1421(18)22)3326(37)153430(38)19756820(19)31(34)39h5810121422H91115H214H3(H3235)(H333637)t22m0s1
MFCD08002422
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)2(13dioxo13dihydro2Hisoindol2yl)acetamide
ZINC000070705108
ZINC70705108

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Available files

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