Vitas-M small molecule compound
4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK594448
SMILES COc1c(OC)cc(cc1OC)c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl
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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 C18H16ClFN4O3S MW 422.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClFN4O3S/c1-25-14-7-10(8-15(26-2)16(14)27-3)17-22-23-18(28)24(17)21-9-11-12(19)5-4-6-13(11)20/h4-9H,1-3H3,(H,23,28)/b21-9+InChIKey
RSIGBEFKPVEGFR-ZVBGSRNCSA-NSynonyms
489414-52-04(((E)(2chloro6fluorophenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)(2chloro6fluorophenyl)methylideneamino)3(345trimethoxyphenyl)1H124triazole5thione
489414520
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=C(C=CC=C3Cl)F
COc1c(OC)cc(cc1OC)c1n(nH)c(=S)n1N=Cc1c(F)cccc1Cl
InChI=1SC18H16ClFN4O3Sc12514710(815(262)16(14)273)17222318(28)24(17)2191112(19)54613(11)20h49H13H3(H2328)b219+
MFCD07199945
ZINC000009109265
ZINC33341749
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