Vitas-M small molecule compound
methyl 4-[({[4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK677723
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1/N=C/c1ccc(cc1)Br)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 C20H15BrF3N5O3S MW 542.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrF3N5O3S/c1-32-17(31)13-4-8-15(9-5-13)26-16(30)11-33-19-28-27-18(20(22,23)24)29(19)25-10-12-2-6-14(21)7-3-12/h2-10H,11H2,1H3,(H,26,30)/b25-10+InChIKey
HYSNCUVCMFNEGG-KIBLKLHPSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N=CC3=CC=C(C=C3)Br)C(F)(F)F
COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N=Cc1ccc(cc1)Br)C(F)(F)F
InChI=1SC20H15BrF3N5O3Sc13217(31)134815(9513)2616(30)113319282718(20(2223)24)29(19)2510122614(21)7312h210H11H21H3(H2630)b2510+
methyl4((((4(((E)(4bromophenyl)methylidene)amino)5(trifluoromethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4((E)(4BROMOPHENYL)METHYLIDENEAMINO)5(TRIFLUOROMETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2(4((1E)2(4BROMOPHENYL)1AZAVINYL)5(TRIFLUOROMETHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03231155
ZINC000000717776
ZINC102780445
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