Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2,5-dimethoxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406126
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)F)C(=O)OCC1CCCO1)OC
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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 C30H32FNO6 MW 521.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32FNO6/c1-17-27(30(34)38-16-22-5-4-12-37-22)28(23-15-21(35-2)10-11-26(23)36-3)29-24(32-17)13-19(14-25(29)33)18-6-8-20(31)9-7-18/h6-11,15,19,22,28,32H,4-5,12-14,16H2,1-3H3InChIKey
BDKZTGMDFCJXSS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=C(C=CC(=C4)OC)OC)C(=O)OCC5CCCO5
InChI=1SC30H32FNO6c11727(30(34)38162254123722)28(231521(352)101126(23)363)2924(3217)1319(1425(29)33)186820(31)9718h6111519222832H45121416H213H3
MFCD05986862
oxolan2ylmethyl4(25dimethoxyphenyl)7(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(25dimethoxyphenyl)7(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000020323890
ZINC000229949645
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