Vitas-M small molecule compound
butan-2-yl 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363655
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccc(cc1)Cl)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 C28H28ClNO5 MW 493.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO5/c1-4-15(2)35-28(32)25-16(3)30-21-11-19(17-5-8-20(29)9-6-17)12-22(31)27(21)26(25)18-7-10-23-24(13-18)34-14-33-23/h5-10,13,15,19,26,30H,4,11-12,14H2,1-3H3InChIKey
ZKWBSCFWIXQZRI-UHFFFAOYSA-NSynonyms
butan2yl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(13benzodioxol5yl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)Cl)C
InChI=1SC28H28ClNO5c1415(2)3528(32)2516(3)30211119(175820(29)9617)1222(31)27(21)26(25)187102324(1318)34143323h5101315192630H4111214H213H3
MFCD01527924
ZINC000001082043
ZINC000035973813
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