Vitas-M small molecule compound
propan-2-yl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK957269
SMILES CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)C(F)(F)F)sc2c1CCCC2)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 C19H21BrF3N3O3S MW 508.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrF3N3O3S/c1-9(2)29-18(28)14-11-6-4-5-7-12(11)30-17(14)24-13(27)8-26-10(3)15(20)16(25-26)19(21,22)23/h9H,4-8H2,1-3H3,(H,24,27)InChIKey
WNDIRPPPCHGKJB-UHFFFAOYSA-NSynonyms
357611-56-4357611564
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C(F)(F)F)Br
InChI=1SC19H21BrF3N3O3Sc19(2)2918(28)1411645712(11)3017(14)2413(27)82610(3)15(20)16(2526)19(2122)23h9H48H213H3(H2427)
MFCD01450793
propan2yl2(((4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(4bromo5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000000995780
ZINC00995780
ZINC995780
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