Vitas-M small molecule compound

5-(3-methoxyphenyl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STL050417
SMILES COc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1[N+](=O)[O-]

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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 C18H15N5O3S MW 381.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O3S/c1-26-15-9-4-7-14(12-15)17-20-21-18(27)22(17)19-11-5-8-13-6-2-3-10-16(13)23(24)25/h2-12H,1H3,(H,21,27)/b8-5+,19-11+
InChIKey
SWUHUYRLXRSVKW-CEGJKDKLSA-N
Synonyms
613249-31-3
3(3METHOXYPHENYL)4((E)((E)3(2NITROPHENYL)PROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
5(3methoxyphenyl)4(((1E2E)3(2nitrophenyl)prop2en1ylidene)amino)24dihydro3H124triazole3thione
613249313
COC1=CC=CC(=C1)C2=NNC(=S)N2N=CC=CC3=CC=CC=C3(N+)(=O)(O)
COc1cccc(c1)c1n(nH)c(=S)n1N=CC=Cc1ccccc1(N+)(=O)(O)
InChI=1SC18H15N5O3Sc1261594714(1215)17202118(27)22(17)191158136231016(13)23(24)25h212H1H3(H2127)b85+1911+
MFCD05730034
ZINC000002211710
ZINC34719135

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Available files

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