Vitas-M small molecule compound
methyl 2-({[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL051250
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1cccs1
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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 C22H16BrF3N4O3S2 MW 585.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrF3N4O3S2/c1-33-21(32)15-10-5-2-3-6-12(10)35-20(15)28-19(31)17-16(23)18-27-11(13-7-4-8-34-13)9-14(22(24,25)26)30(18)29-17/h4,7-9H,2-3,5-6H2,1H3,(H,28,31)InChIKey
XEIANUQFWJNADZ-UHFFFAOYSA-NSynonyms
333765-78-9333765789
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CS5)C(F)(F)F
InChI=1SC22H16BrF3N4O3S2c13321(32)1510523612(10)3520(15)2819(31)1716(23)182711(137483413)914(22(2425)26)30(18)2917h479H2356H21H3(H2831)
methyl2(((3bromo5(thiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3bromo5thiophen2yl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(3bromo5(thiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01450637
ZINC000000845348
ZINC00845348
ZINC845348
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