Vitas-M small molecule compound
4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK583673
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)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 C18H16Cl2N4O3S MW 439.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl2N4O3S/c1-25-14-7-11(8-15(26-2)16(14)27-3)17-22-23-18(28)24(17)21-9-10-4-5-12(19)13(20)6-10/h4-9H,1-3H3,(H,23,28)/b21-9+InChIKey
LWAJYYBAIXLDSV-ZVBGSRNCSA-NSynonyms
488107-62-64(((E)(34dichlorophenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)(34DICHLOROPHENYL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
488107626
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)Cl)Cl
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1ccc(c(c1)Cl)Cl
InChI=1SC18H16Cl2N4O3Sc12514711(815(262)16(14)273)17222318(28)24(17)219104512(19)13(20)610h49H13H3(H2328)b219+
MFCD07204619
ZINC000009088221
ZINC33341755
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