Vitas-M small molecule compound
methyl 2-({[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL329920
SMILES COC(=O)c1c(NC(=O)c2nn3c(c2Cl)nc(cc3C(F)(F)F)c2ccccc2)sc2c1CCC(C2)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 C25H20ClF3N4O3S MW 548.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClF3N4O3S/c1-12-8-9-14-16(10-12)37-23(18(14)24(35)36-2)31-22(34)20-19(26)21-30-15(13-6-4-3-5-7-13)11-17(25(27,28)29)33(21)32-20/h3-7,11-12H,8-10H2,1-2H3,(H,31,34)InChIKey
QHNXRBIMXDGBKE-UHFFFAOYSA-NSynonyms
333762-66-6333762666
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F
InChI=1SC25H20ClF3N4O3Sc112891416(1012)3723(18(14)24(35)362)3122(34)2019(26)213015(136435713)1117(25(2728)29)33(21)3220h371112H810H212H3(H3134)
methyl2(((3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(3chloro5phenyl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01540786
ZINC000002236708
ZINC000002236710
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