Vitas-M small molecule compound

5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl (1E)-N-(2-nitrophenyl)-2-oxopropanehydrazonothioate

Catalog ID
STK733770
SMILES COc1ccc(cc1)c1nnc(n1C)S/C(=N/Nc1ccccc1[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(22-20-15-6-4-5-7-16(15)25(27)28)30-19-23-21-17(24(19)2)13-8-10-14(29-3)11-9-13/h4-11,20H,1-3H3/b22-18+
InChIKey
RPIHBRDNDOTGRV-RELWKKBWSA-N
Synonyms

(5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)(1E)N(2NITROANILINO)2OXOPROPANIMIDOTHIOATE
(E)5(4methoxyphenyl)4methyl4H124triazol3ylN(2nitrophenyl)2oxopropanehydrazonothioate
5(4methoxyphenyl)4methyl4H124triazol3yl(1E)N(2nitrophenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=CC=CC=C1(N+)(=O)(O))SC2=NN=C(N2C)C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1C)SC(=NNc1ccccc1(N+)(=O)(O))C(=O)C
InChI=1SC19H18N6O4Sc112(26)18(222015645716(15)25(27)28)3019232117(24(19)2)1381014(293)11913h41120H13H3b2218+
MFCD02997997
ZINC000008836607
ZINC102659893

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Available files

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