Vitas-M small molecule compound
methyl 2-({[4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK776909
SMILES COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C2c2ccccc2F)C(=O)CCC3)sc2c1CCCC2
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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 C27H27FN2O4S MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2O4S/c1-14-21(25(32)30-26-23(27(33)34-2)16-9-4-6-13-20(16)35-26)22(15-8-3-5-10-17(15)28)24-18(29-14)11-7-12-19(24)31/h3,5,8,10,22,29H,4,6-7,9,11-13H2,1-2H3,(H,30,32)InChIKey
BHDQRPJGTUUXKQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3F)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC
InChI=1SC27H27FN2O4Sc11421(25(32)302623(27(33)342)169461320(16)3526)22(158351017(15)28)2418(2914)1171219(24)31h358102229H46791113H212H3(H3032)
methyl2(((4(2fluorophenyl)2methyl5oxo145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(2fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05259738
ZINC000001424259
ZINC000012416446
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