Vitas-M small molecule compound
4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK574742
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/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 C20H19ClN4O3S MW 430.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S/c1-26-16-10-14(11-17(27-2)18(16)28-3)19-23-24-20(29)25(19)22-12-15(21)9-13-7-5-4-6-8-13/h4-12H,1-3H3,(H,24,29)/b15-9-,22-12+InChIKey
PDVPXXSPYBMWBC-KOLAHGPOSA-NSynonyms
488096-72-64(((1E2Z)2chloro3phenylprop2en1ylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)((Z)2CHLORO3PHENYLPROP2ENYLIDENE)AMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
488096726
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC(=CC3=CC=CC=C3)Cl
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=CC(=Cc1ccccc1)Cl
InChI=1SC20H19ClN4O3Sc126161014(1117(272)18(16)283)19232420(29)25(19)221215(21)9137546813h412H13H3(H2429)b1592212+
MFCD07200077
ZINC000009109415
ZINC33341764
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