Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-10-benzyl-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
STL348478
SMILES O=C(C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)Cc1ccccc1)Nc1ccc2c(c1)OCO2
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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/c33-27(30-19-10-11-21-22(14-19)37-16-36-21)26-24-23(25-20-9-5-4-8-18(20)12-13-31(25)26)28(34)32(29(24)35)15-17-6-2-1-3-7-17/h1-14,23-26H,15-16H2,(H,30,33)InChIKey
RZMCTNYJWIFFMY-UHFFFAOYSA-NSynonyms
(8S8aR11aS)N(benzo(d)(13)dioxol5yl)10benzyl911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
C1OC2=C(O1)C=C(C=C2)NC(=O)C3C4C(C5N3C=CC6=CC=CC=C56)C(=O)N(C4=O)CC7=CC=CC=C7
InChI=1SC29H23N3O5c3327(301910112122(1419)37163621)262423(2520954818(20)121331(25)26)28(34)32(29(24)35)15176213717h1142326H1516H2(H3033)
MFCD28032583
N(13benzodioxol5yl)10benzyl911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)Cc1ccccc1)Nc1ccc2c(c1)OCO2
ZINC000016001937
ZINC000101359120
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