Vitas-M small molecule compound
methyl (2E)-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}[2-(4-nitrophenyl)hydrazinylidene]ethanoate
Catalog ID
STK999062
SMILES COc1ccc(cc1)c1nnc(n1C)S/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/C(=O)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 C19H18N6O5S MW 442.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N6O5S/c1-24-16(12-4-10-15(29-2)11-5-12)21-23-19(24)31-17(18(26)30-3)22-20-13-6-8-14(9-7-13)25(27)28/h4-11,20H,1-3H3/b22-17+InChIKey
VCWHAXRRYTVDPE-OQKWZONESA-NSynonyms
669761-45-9(E)methyl2((5(4methoxyphenyl)4methyl4H124triazol3yl)thio)2(2(4nitrophenyl)hydrazono)acetate
669761459
CN1C(=NN=C1SC(=NNC2=CC=C(C=C2)(N+)(=O)(O))C(=O)OC)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1C)SC(=NNc1ccc(cc1)(N+)(=O)(O))C(=O)OC
InChI=1SC19H18N6O5Sc12416(1241015(292)11512)212319(24)3117(18(26)303)2220136814(9713)25(27)28h41120H13H3b2217+
methyl(2E)((5(4methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)(2(4nitrophenyl)hydrazinylidene)ethanoate
METHYL(2E)2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)2((4NITROPHENYL)HYDRAZINYLIDENE)ACETATE
MFCD03670055
ZINC000009317509
ZINC38194911
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