Vitas-M small molecule compound

(6aS,6bR,9aS,10R)-8-(4-chlorophenyl)-7,9-dioxo-10-(phenylcarbonyl)-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-1-yl acetate

Catalog ID
STK555874
SMILES Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1c(ccc2)OC(=O)C)C(=O)c1ccccc1

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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 C29H21ClN2O5 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O5/c1-16(33)37-22-9-5-8-17-10-15-21-23-24(29(36)31(28(23)35)20-13-11-19(30)12-14-20)26(32(21)25(17)22)27(34)18-6-3-2-4-7-18/h2-15,21,23-24,26H,1H3/t21-,23-,24-,26+/m0/s1
InChIKey
TXWBUKOFJYRADF-FNFLUXIASA-N
Synonyms
1014103-40-2
(6aS6bR9aS10R)10benzoyl8(4chlorophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin1ylacetate
(6aS6bR9aS10R)8(4chlorophenyl)79dioxo10(phenylcarbonyl)6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin1ylacetate
1014103402
CC(=O)OC1=CC=CC2=C1N3C(C=C2)C4C(C3C(=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1c(ccc2)OC(=O)C)C(=O)c1ccccc1
InChI=1SC29H21ClN2O5c116(33)3722958171015212324(29(36)31(28(23)35)20131119(30)121420)26(32(21)25(17)22)27(34)186324718h21521232426H1H3t21232426+m0s1
MFCD18242896
ZINC000101041741
ZINC101041741

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Available files

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