Vitas-M small molecule compound
propan-2-yl 2-({[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK376914
SMILES CC(OC(=O)c1c(NC(=O)c2cc3n(n2)c(cc(n3)c2ccc(cc2)[N+](=O)[O-])C(F)(F)F)sc2c1CCCC2)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 C26H22F3N5O5S MW 573.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22F3N5O5S/c1-13(2)39-25(36)22-16-5-3-4-6-19(16)40-24(22)31-23(35)18-12-21-30-17(11-20(26(27,28)29)33(21)32-18)14-7-9-15(10-8-14)34(37)38/h7-13H,3-6H2,1-2H3,(H,31,35)InChIKey
MUIWXZJPYGESSZ-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)(N+)(=O)(O))C(F)(F)F
InChI=1SC26H22F3N5O5Sc113(2)3925(36)2216534619(16)4024(22)3123(35)1812213017(1120(26(2728)29)33(21)3218)147915(10814)34(37)38h713H36H212H3(H3135)
MFCD01445172
propan2yl2(((5(4nitrophenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((5(4nitrophenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000003038192
ZINC3038192
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