Vitas-M small molecule compound

10-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)-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
STL050681
SMILES COc1ccc(cc1NC(=O)C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)Cc1ccc2c(c1)OCO2)Cl

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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 C30H24ClN3O6 MW 557.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClN3O6/c1-38-21-9-7-18(31)13-20(21)32-28(35)27-25-24(26-19-5-3-2-4-17(19)10-11-33(26)27)29(36)34(30(25)37)14-16-6-8-22-23(12-16)40-15-39-22/h2-13,24-27H,14-15H2,1H3,(H,32,35)
InChIKey
YQMSYCAEIQLCJS-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)10(benzo(d)(13)dioxol5ylmethyl)N(5chloro2methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(13benzodioxol5ylmethyl)N(5chloro2methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
COC1=C(C=C(C=C1)Cl)NC(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)CC6=CC7=C(C=C6)OCO7
COc1ccc(cc1NC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)Cc1ccc2c(c1)OCO2)Cl
InChI=1SC30H24ClN3O6c138219718(31)1320(21)3228(35)272524(2619532417(19)101133(26)27)29(36)34(30(25)37)1416682223(1216)40153922h2132427H1415H21H3(H3235)
MFCD05738131
ZINC000102886812
ZINC000245247897

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Available files

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