Vitas-M small molecule compound
4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK567333
SMILES COc1cccc(c1)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/c1-25-12-4-2-3-11(8-12)15-19-20-16(26)21(15)18-9-10-5-6-13(17)14(7-10)22(23)24/h2-9H,1H3,(H,20,26)/b18-9+InChIKey
ZWFMUYVTNHUWRZ-GIJQJNRQSA-NSynonyms
613249-20-04(((E)(4chloro3nitrophenyl)methylidene)amino)5(3methoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(4CHLORO3NITROPHENYL)1AZAVINYL)5(3METHOXYPHENYL)124TRIAZOLE3THIOL
4((E)(4CHLORO3NITROPHENYL)METHYLIDENEAMINO)3(3METHOXYPHENYL)1H124TRIAZOLE5THIONE
613249200
COC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O)
COc1cccc(c1)c1n(nH)c(=S)n1N=Cc1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC16H12ClN5O3Sc1251242311(812)15192016(26)21(15)189105613(17)14(710)22(23)24h29H1H3(H2026)b189+
MFCD05733251
ZINC000001885337
ZINC33342326
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