Vitas-M small molecule compound
methyl 2-[(6aR,6bS,9aR,10S)-7,9-dioxo-10-(phenylcarbonyl)-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]benzoate
Catalog ID
STK537601
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)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 C29H22N2O5 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O5/c1-36-29(35)19-12-6-8-14-21(19)31-27(33)23-22-16-15-17-9-5-7-13-20(17)30(22)25(24(23)28(31)34)26(32)18-10-3-2-4-11-18/h2-16,22-25H,1H3/t22-,23-,24-,25+/m1/s1InChIKey
XWCNJMIACPRZFV-VPBXCIAMSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC=CC=C6
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)c1ccccc1
InChI=1SC29H22N2O5c13629(35)1912681421(19)3127(33)23221615179571320(17)30(22)25(24(23)28(31)34)26(32)18103241118h2162225H1H3t22232425+m1s1
methyl2((6aR6bS9aR10S)10benzoyl79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)benzoate
methyl2((6aR6bS9aR10S)79dioxo10(phenylcarbonyl)6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)benzoate
MFCD18241692
ZINC000009144459
ZINC09144459
ZINC9144459
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