Vitas-M small molecule compound

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

Catalog ID
STK846233
SMILES COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C16H12ClN5O3S MW 389.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN5O3S/c1-25-12-5-3-11(4-6-12)15-19-20-16(26)21(15)18-9-10-2-7-13(17)14(8-10)22(23)24/h2-9H,1H3,(H,20,26)/b18-9+
InChIKey
LWFDYGDSYZJJJL-GIJQJNRQSA-N
Synonyms
420104-36-5
4(((E)(4chloro3nitrophenyl)methylidene)amino)5(4methoxyphenyl)24dihydro3H124triazole3thione
4((E)(4CHLORO3NITROPHENYL)METHYLIDENEAMINO)3(4METHOXYPHENYL)1H124TRIAZOLE5THIONE
420104365
COc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC16H12ClN5O3Sc125125311(4612)15192016(26)21(15)189102713(17)14(810)22(23)24h29H1H3(H2026)b189+
MFCD03801049
ZINC000001771144
ZINC19807800
ZINC4679862

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Available files

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