Vitas-M small molecule compound
10-(1,3-benzodioxol-5-yl)-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
STL343449
SMILES COc1ccc(cc1NC(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)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 C29H22ClN3O6 MW 543.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O6/c1-37-20-8-6-16(30)12-19(20)31-27(34)26-24-23(25-18-5-3-2-4-15(18)10-11-32(25)26)28(35)33(29(24)36)17-7-9-21-22(13-17)39-14-38-21/h2-13,23-26H,14H2,1H3,(H,31,34)InChIKey
XHCFUHUUMKFDJE-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)N(5chloro2methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(13benzodioxol5yl)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)C6=CC7=C(C=C6)OCO7
COc1ccc(cc1NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)Cl
InChI=1SC29H22ClN3O6c137208616(30)1219(20)3127(34)262423(2518532415(18)101132(25)26)28(35)33(29(24)36)17792122(1317)39143821h2132326H14H21H3(H3134)
MFCD28032498
ZINC000101111055
ZINC000245312800
Check stock
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Check stock on Vitas-MAvailable files
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