Vitas-M small molecule compound
4-({[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL299096
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C#N)nnc1c1ccc(cc1)OC
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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 C25H22N4O2S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S/c1-3-31-23-14-10-21(11-15-23)29-24(20-8-12-22(30-2)13-9-20)27-28-25(29)32-17-19-6-4-18(16-26)5-7-19/h4-15H,3,17H2,1-2H3InChIKey
FXLVFPPWWAKSNL-UHFFFAOYSA-NSynonyms
861645-29-64(((4(4ethoxyphenyl)5(4methoxyphenyl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4(((4(4ethoxyphenyl)5(4methoxyphenyl)4H124triazol3yl)thio)methyl)benzonitrile
4((4(4ETHOXYPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
4((4(4ETHOXYPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YLTHIO)METHYL)BENZENECARBONITRILE
861645296
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)OC
InChI=1SC25H22N4O2Sc133123141021(111523)2924(2081222(302)13920)272825(29)3217196418(1626)5719h415H317H212H3
MFCD05686179
ZINC000009309214
ZINC09309214
ZINC9309214
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