Vitas-M small molecule compound
(8S,8aR,11aS)-N-(1,3-benzodioxol-5-yl)-10-(4-methylphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STK588782
SMILES Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C=Cc2c1cccc2
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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 C29H23N3O5 MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O5/c1-16-6-9-19(10-7-16)32-28(34)23-24(29(32)35)26(31-13-12-17-4-2-3-5-20(17)25(23)31)27(33)30-18-8-11-21-22(14-18)37-15-36-21/h2-14,23-26H,15H2,1H3,(H,30,33)/t23-,24+,25?,26-/m0/s1InChIKey
WETSWUKPCWPWJD-HLMSNRGBSA-NSynonyms
1013837-38-1(8S8aR11aS)N(13benzodioxol5yl)10(4methylphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
(8S8aR11aS)N(benzo(d)(13)dioxol5yl)911dioxo10(ptolyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013837381
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC7=C(C=C6)OCO7
Cc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)Nc2ccc3c(c2)OCO3)C=Cc2c1cccc2
InChI=1SC29H23N3O5c1166919(10716)3228(34)2324(29(32)35)26(31131217423520(17)25(23)31)27(33)30188112122(1418)37153621h2142326H15H21H3(H3033)t2324+25?26m0s1
MFCD18245839
ZINC000013779167
ZINC000016033639
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.