Vitas-M small molecule compound
4-(5-chloro-2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK328979
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1c1cc(Cl)ccc1OC)S
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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 C18H18ClN3O4S MW 407.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3O4S/c1-23-13-6-5-11(19)9-12(13)22-17(20-21-18(22)27)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,21,27)InChIKey
XKKPTQJTCXFNMT-UHFFFAOYSA-NSynonyms
878418-76-94(5CHLORO2METHOXYPHENYL)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
4(5chloro2methoxyphenyl)5(345trimethoxyphenyl)4H124triazole3thiol
878418769
COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC
InChI=1SC18H18ClN3O4Sc123136511(19)912(13)2217(202118(22)27)10714(242)16(264)15(810)253h59H14H3(H2127)
MFCD06735598
ZINC000006162854
ZINC6162854
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