Vitas-M small molecule compound
propan-2-yl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402891
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cccs1)C(=O)OC(C)C)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 C25H27NO4S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO4S/c1-14(2)30-25(28)22-15(3)26-18-12-16(17-8-5-6-9-20(17)29-4)13-19(27)23(18)24(22)21-10-7-11-31-21/h5-11,14,16,24,26H,12-13H2,1-4H3InChIKey
CPBIHIHWHZSILW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=CS4)C(=O)OC(C)C
InChI=1SC25H27NO4Sc114(2)3025(28)2215(3)26181216(17856920(17)294)1319(27)23(18)24(22)21107113121h51114162426H1213H214H3
MFCD03145139
propan2yl7(2methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl7(2methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000000781598
ZINC000000781601
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