Vitas-M small molecule compound
propan-2-yl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL049082
SMILES COc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
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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 C27H25F3N4O4S MW 558.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N4O4S/c1-14(2)38-26(36)23-17-6-4-5-7-20(17)39-25(23)32-24(35)19-13-22-31-18(15-8-10-16(37-3)11-9-15)12-21(27(28,29)30)34(22)33-19/h8-14H,4-7H2,1-3H3,(H,32,35)InChIKey
ZRCJRDCIHMWYHY-UHFFFAOYSA-NSynonyms
313248-63-4313248634
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)OC)C(F)(F)F
InChI=1SC27H25F3N4O4Sc114(2)3826(36)2317645720(17)3925(23)3224(35)1913223118(1581016(373)11915)1221(27(2829)30)34(22)3319h814H47H213H3(H3235)
isopropyl2(5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01417412
propan2yl2(((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000001899156
ZINC01899156
ZINC1899156
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