Vitas-M small molecule compound
5-(4-chlorophenyl)-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL044083
SMILES COc1c(ccc(c1OC)OC)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)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 C18H17ClN4O3S MW 404.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN4O3S/c1-24-14-9-6-12(15(25-2)16(14)26-3)10-20-23-17(21-22-18(23)27)11-4-7-13(19)8-5-11/h4-10H,1-3H3,(H,22,27)/b20-10+InChIKey
UFZAGZFJXFHTAW-KEBDBYFISA-NSynonyms
3(4CHLOROPHENYL)4((E)(234TRIMETHOXYPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
5(4chlorophenyl)4(((E)(234trimethoxyphenyl)methylidene)amino)24dihydro3H124triazole3thione
COc1c(ccc(c1OC)OC)C=Nn1c(=S)(nH)nc1c1ccc(cc1)Cl
InChI=1SC18H17ClN4O3Sc124149612(15(252)16(14)263)10202317(212218(23)27)114713(19)8511h410H13H3(H2227)b2010+
MFCD03800863
ZINC000001473726
ZINC1473725
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