Vitas-M small molecule compound
methyl 2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK430904
SMILES COC(=O)c1c(NC(=O)c2cc3n(n2)c(cc(n3)c2ccc(c(c2)C)C)C(F)(F)F)sc2c1CCCCC2
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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 C27H25F3N4O3S MW 542.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N4O3S/c1-14-9-10-16(11-15(14)2)18-12-21(27(28,29)30)34-22(31-18)13-19(33-34)24(35)32-25-23(26(36)37-3)17-7-5-4-6-8-20(17)38-25/h9-13H,4-8H2,1-3H3,(H,32,35)InChIKey
NDXGZFJUEWQALX-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC)C
InChI=1SC27H25F3N4O3Sc11491016(1115(14)2)181221(27(2829)30)3422(3118)1319(3334)24(35)322523(26(36)373)177546820(17)3825h913H48H213H3(H3235)
methyl2(((5(34dimethylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((5(34dimethylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03074379
ZINC000002111411
ZINC02111411
ZINC2111411
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