Vitas-M small molecule compound

N,10-bis(1,3-benzodioxol-5-yl)-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
STL348361
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)C2C1C1c3ccccc3C=CN1C2C(=O)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 C29H21N3O7 MW 523.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O7/c33-27(30-16-5-7-19-21(11-16)38-13-36-19)26-24-23(25-18-4-2-1-3-15(18)9-10-31(25)26)28(34)32(29(24)35)17-6-8-20-22(12-17)39-14-37-20/h1-12,23-26H,13-14H2,(H,30,33)
InChIKey
RIZPNLASTUJFMG-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)N10bis(benzo(d)(13)dioxol5yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
C1OC2=C(O1)C=C(C=C2)NC(=O)C3C4C(C5N3C=CC6=CC=CC=C56)C(=O)N(C4=O)C7=CC8=C(C=C7)OCO8
InChI=1SC29H21N3O7c3327(3016571921(1116)38133619)262423(2518421315(18)91031(25)26)28(34)32(29(24)35)17682022(1217)39143720h1122326H1314H2(H3033)
MFCD28032575
N10bis(13benzodioxol5yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@H)1C1c3ccccc3C=CN1(C@@H)2C(=O)Nc1ccc2c(c1)OCO2
ZINC000101210651
ZINC000245240419

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Available files

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