Vitas-M small molecule compound
ethyl 2-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL405252
SMILES CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccc(cc1)OC
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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 C27H24BrF3N4O4S MW 637.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrF3N4O4S/c1-3-39-26(37)20-16-7-5-4-6-8-18(16)40-25(20)33-24(36)22-21(28)23-32-17(14-9-11-15(38-2)12-10-14)13-19(27(29,30)31)35(23)34-22/h9-13H,3-8H2,1-2H3,(H,33,36)InChIKey
FFYODQVOIYJKDY-UHFFFAOYSA-NSynonyms
354994-38-0354994380
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=C(C=C5)OC)C(F)(F)F
ethyl2(((3bromo5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((3bromo5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC27H24BrF3N4O4Sc133926(37)20167546818(16)4025(20)3324(36)2221(28)233217(1491115(382)121014)1319(27(2930)31)35(23)3422h913H38H212H3(H3336)
MFCD01450756
ZINC000008397289
ZINC08397289
ZINC8397289
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