Vitas-M small molecule compound
methyl 2-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL405266
SMILES COC(=O)c1c(NC(=O)c2nn3c(c2Br)nc(cc3C(F)(F)F)c2ccc(cc2)OC)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 C29H28BrF3N4O4S MW 665.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28BrF3N4O4S/c1-28(2,3)15-8-11-17-19(12-15)42-26(21(17)27(39)41-5)35-25(38)23-22(30)24-34-18(14-6-9-16(40-4)10-7-14)13-20(29(31,32)33)37(24)36-23/h6-7,9-10,13,15H,8,11-12H2,1-5H3,(H,35,38)InChIKey
GIMIQMSZZPYIDT-UHFFFAOYSA-NSynonyms
352692-42-3352692423
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=C(C=C5)OC)C(F)(F)F
InChI=1SC29H28BrF3N4O4Sc128(23)158111719(1215)4226(21(17)27(39)415)3525(38)2322(30)243418(146916(404)10714)1320(29(3132)33)37(24)3623h679101315H81112H215H3(H3538)
methyl2(((3bromo5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl2((3bromo5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
MFCD01919279
ZINC000097949201
ZINC000097949202
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