Vitas-M small molecule compound
3-bromo-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STL405237
SMILES COc1ccc(cc1)c1cc(n2c(n1)c(Br)c(n2)C(=O)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)C(F)(F)F
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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 C28H27BrF3N5O3S MW 650.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrF3N5O3S/c1-27(2,3)14-7-10-16-18(11-14)41-26(20(16)23(33)38)35-25(39)22-21(29)24-34-17(13-5-8-15(40-4)9-6-13)12-19(28(30,31)32)37(24)36-22/h5-6,8-9,12,14H,7,10-11H2,1-4H3,(H2,33,38)(H,35,39)InChIKey
KSPSNFQWGQPSPQ-UHFFFAOYSA-NSynonyms
354997-47-0354997470
3bromoN(6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=C(C=C5)OC)C(F)(F)F
InChI=1SC28H27BrF3N5O3Sc127(23)147101618(1114)4126(20(16)23(33)38)3525(39)2221(29)243417(135815(404)9613)1219(28(3031)32)37(24)3622h56891214H71011H214H3(H23338)(H3539)
MFCD01447537
ZINC000008430156
ZINC000008430157
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