Vitas-M small molecule compound
cyclopentyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK060733
SMILES COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC1CCCC1)c1ccc(cc1)F
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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 C30H32FNO5 MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32FNO5/c1-17-27(30(34)37-22-6-4-5-7-22)28(18-8-11-21(31)12-9-18)29-23(32-17)14-20(15-24(29)33)19-10-13-25(35-2)26(16-19)36-3/h8-13,16,20,22,28,32H,4-7,14-15H2,1-3H3InChIKey
YYJNCXIYHAURDF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F)C(=O)OC5CCCC5
COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC1CCCC1)c1ccc(cc1)F
cyclopentyl7(34dimethoxyphenyl)4(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(34dimethoxyphenyl)4(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32FNO5c11727(30(34)3722645722)28(1881121(31)12918)2923(3217)1420(1524(29)33)19101325(352)26(1619)363h8131620222832H471415H213H3
MFCD02224285
STK060733
ZINC000000647975
ZINC000002788549
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