Vitas-M small molecule compound
propan-2-yl 4-(1,3-benzodioxol-5-yl)-7-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406950
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1Cl)C
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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 C27H26ClNO5 MW 479.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO5/c1-14(2)34-27(31)24-15(3)29-20-10-17(18-6-4-5-7-19(18)28)11-21(30)26(20)25(24)16-8-9-22-23(12-16)33-13-32-22/h4-9,12,14,17,25,29H,10-11,13H2,1-3H3InChIKey
CHNGUGXUXZJFRW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C4=CC5=C(C=C4)OCO5)C(=O)OC(C)C
InChI=1SC27H26ClNO5c114(2)3427(31)2415(3)29201017(18645719(18)28)1121(30)26(20)25(24)16892223(1216)33133222h491214172529H101113H213H3
MFCD06007431
propan2yl4(13benzodioxol5yl)7(2chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(13benzodioxol5yl)7(2chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002881109
ZINC000002881112
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