Vitas-M small molecule compound
5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-nitrophenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK536899
SMILES COc1ccc(cc1)c1nnc(n1C)S/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/C(=O)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 C19H18N6O4S MW 426.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N6O4S/c1-12(26)18(22-20-14-6-8-15(9-7-14)25(27)28)30-19-23-21-17(24(19)2)13-4-10-16(29-3)11-5-13/h4-11,20H,1-3H3/b22-18+InChIKey
QUZKDNUHYFILKO-RELWKKBWSA-NSynonyms
381716-61-6(5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)(1E)N(4NITROANILINO)2OXOPROPANIMIDOTHIOATE
(E)5(4methoxyphenyl)4methyl4H124triazol3ylN(4nitrophenyl)2oxopropanehydrazonothioate
381716616
5(4methoxyphenyl)4methyl4H124triazol3yl(1E)N(4nitrophenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=CC=C(C=C1)(N+)(=O)(O))SC2=NN=C(N2C)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1C)SC(=NNc1ccc(cc1)(N+)(=O)(O))C(=O)C
InChI=1SC19H18N6O4Sc112(26)18(2220146815(9714)25(27)28)3019232117(24(19)2)1341016(293)11513h41120H13H3b2218+
MFCD02998753
ZINC000013810523
ZINC102419779
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