Vitas-M small molecule compound

(8S,8aR,11aS,11bS)-10-(2,4-dimethylphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STK555621
SMILES Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

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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 C29H24N2O3 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O3/c1-17-12-13-22(18(2)16-17)31-28(33)23-24(29(31)34)26(27(32)20-9-4-3-5-10-20)30-15-14-19-8-6-7-11-21(19)25(23)30/h3-16,23-26H,1-2H3/t23-,24+,25+,26-/m0/s1
InChIKey
UNHBDPJBXMTXIY-QUMGSSFMSA-N
Synonyms
1013987-49-9
(8S8aR11aS11bS)10(24dimethylphenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS11bS)8benzoyl10(24dimethylphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013987499
CC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6)C
Cc1ccc(c(c1)C)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccccc2)C=Cc2c1cccc2
InChI=1SC29H24N2O3c117121322(18(2)1617)3128(33)2324(29(31)34)26(27(32)2094351020)301514198671121(19)25(23)30h3162326H12H3t2324+25+26m0s1
MFCD18242877
ZINC000015974755
ZINC15974755

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Available files

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