Vitas-M small molecule compound
4-({[4-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK665940
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1c1ccc2c(c1)OCO2)SCc1ccc(cc1)C#N
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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 C26H22N4O5S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O5S/c1-31-22-10-18(11-23(32-2)24(22)33-3)25-28-29-26(36-14-17-6-4-16(13-27)5-7-17)30(25)19-8-9-20-21(12-19)35-15-34-20/h4-12H,14-15H2,1-3H3InChIKey
FPYQSZSCAIEYFH-UHFFFAOYSA-NSynonyms
4(((4(13benzodioxol5yl)5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((4(13benzodioxol5yl)5(345trimethoxyphenyl)124triazol3yl)sulfanylmethyl)benzonitrile
COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC4=C(C=C3)OCO4)SCC5=CC=C(C=C5)C#N
InChI=1SC26H22N4O5Sc131221018(1123(322)24(22)333)25282926(3614176416(1327)5717)30(25)19892021(1219)35153420h412H1415H213H3
MFCD12972457
ZINC000030947837
ZINC30947837
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