Vitas-M small molecule compound
methyl (2E)-[2-(4-bromophenyl)hydrazinylidene]{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanoate
Catalog ID
STL000669
SMILES COC(=O)/C(=N\Nc1ccc(cc1)Br)/Sc1nnc(n1C)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 C19H18BrN5O3S MW 476.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN5O3S/c1-25-16(12-4-10-15(27-2)11-5-12)22-24-19(25)29-17(18(26)28-3)23-21-14-8-6-13(20)7-9-14/h4-11,21H,1-3H3/b23-17+InChIKey
CEUWBJIJTAFREJ-HAVVHWLPSA-NSynonyms
669761-43-7(E)methyl2(2(4bromophenyl)hydrazono)2((5(4methoxyphenyl)4methyl4H124triazol3yl)thio)acetate
669761437
CN1C(=NN=C1SC(=NNC2=CC=C(C=C2)Br)C(=O)OC)C3=CC=C(C=C3)OC
COC(=O)C(=NNc1ccc(cc1)Br)Sc1nnc(n1C)c1ccc(cc1)OC
InChI=1SC19H18BrN5O3Sc12516(1241015(272)11512)222419(25)2917(18(26)283)2321148613(20)7914h41121H13H3b2317+
methyl(2E)(2(4bromophenyl)hydrazinylidene)((5(4methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)ethanoate
METHYL(2E)2((4BROMOPHENYL)HYDRAZINYLIDENE)2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETATE
MFCD03672472
ZINC000002206005
ZINC33350368
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