Vitas-M small molecule compound
methyl 6-tert-butyl-2-({[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL330437
SMILES COC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccco2)sc2c1CCC(C2)C(C)(C)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 C26H25F3N4O4S MW 546.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25F3N4O4S/c1-25(2,3)13-7-8-14-18(10-13)38-23(21(14)24(35)36-4)31-22(34)16-12-20-30-15(17-6-5-9-37-17)11-19(26(27,28)29)33(20)32-16/h5-6,9,11-13H,7-8,10H2,1-4H3,(H,31,34)InChIKey
KVEOWHBZDTYSQJ-UHFFFAOYSA-NSynonyms
333762-77-9333762779
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CO5)C(F)(F)F
InChI=1SC26H25F3N4O4Sc125(23)13781418(1013)3823(21(14)24(35)364)3122(34)1612203015(176593717)1119(26(2728)29)33(20)3216h5691113H7810H214H3(H3134)
methyl6(tertbutyl)2(5(furan2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(((5(furan2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((5(furan2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01451892
ZINC000000845083
ZINC000000845084
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