Vitas-M small molecule compound
methyl 2-({[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL231835
SMILES COC(=O)c1c(NC(=O)CN2CCC3(C(C2c2ccc(cc2)F)CCCC3)O)sc(c1C)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 C25H31FN2O4S MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31FN2O4S/c1-15-16(2)33-23(21(15)24(30)32-3)27-20(29)14-28-13-12-25(31)11-5-4-6-19(25)22(28)17-7-9-18(26)10-8-17/h7-10,19,22,31H,4-6,11-14H2,1-3H3,(H,27,29)InChIKey
IWPWPOQEYJTQHH-UHFFFAOYSA-NSynonyms
1005072-62-71005072627
2(2(1(4FLUOROPHENYL)4AHYDROXYOCTAHYDROISOQUINOLIN2YL)ACETYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLICACIDMETHYLESTER
CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC3(CCCCC3C2C4=CC=C(C=C4)F)O)C
InChI=1SC25H31FN2O4Sc11516(2)3323(21(15)24(30)323)2720(29)1428131225(31)1154619(25)22(28)177918(26)10817h710192231H461114H213H3(H2729)
methyl2(((1(4fluorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetyl)amino)45dimethylthiophene3carboxylate
methyl2((2(1(4fluorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)acetyl)amino)45dimethylthiophene3carboxylate
methyl2(2(1(4fluorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamido)45dimethylthiophene3carboxylate
MFCD04195365
ZINC000002433149
ZINC000247824377
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