Vitas-M small molecule compound
methyl 6-tert-butyl-2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL483051
SMILES COC(=O)c1c(NC(=O)c2cnn3c2nc(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 C29H29F3N4O4S MW 586.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29F3N4O4S/c1-28(2,3)16-8-11-18-21(12-16)41-26(23(18)27(38)40-5)35-25(37)19-14-33-36-22(29(30,31)32)13-20(34-24(19)36)15-6-9-17(39-4)10-7-15/h6-7,9-10,13-14,16H,8,11-12H2,1-5H3,(H,35,37)InChIKey
PDVUIQGFGLJWRW-UHFFFAOYSA-NSynonyms
333762-86-0333762860
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)OC
InChI=1SC29H29F3N4O4Sc128(23)168111821(1216)4126(23(18)27(38)405)3525(37)1914333622(29(3031)32)1320(3424(19)36)156917(394)10715h67910131416H81112H215H3(H3537)
methyl6tertbutyl2(((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01540795
ZINC000002084107
ZINC000002084108
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