Vitas-M small molecule compound

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

Catalog ID
STK543645
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)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 C29H21ClN2O5 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O5/c1-16(33)37-21-13-11-20(12-14-21)31-28(35)24-23-15-8-17-4-2-3-5-22(17)32(23)26(25(24)29(31)36)27(34)18-6-9-19(30)10-7-18/h2-15,23-26H,1H3/t23-,24-,25-,26+/m0/s1
InChIKey
BJMFRNXDNKATSX-ASDGIDEWSA-N
Synonyms
1014061-52-9
1014061529
4((6aS6bR9aS10R)10((4chlorophenyl)carbonyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)phenylacetate
4((6aS6bR9aS10R)10(4chlorobenzoyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC=C(C=C6)Cl
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)c1ccc(cc1)Cl
InChI=1SC29H21ClN2O5c116(33)3721131120(121421)3128(35)242315817423522(17)32(23)26(25(24)29(31)36)27(34)186919(30)10718h2152326H1H3t23242526+m0s1
MFCD18242099
ZINC000100904054
ZINC100904054

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Available files

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