Vitas-M small molecule compound
4-({[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK245829
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C)c1ccc(c(c1)OC)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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-24-19(15-8-9-17(26-2)18(10-15)27-3)22-23-20(24)28-12-16(25)14-6-4-13(11-21)5-7-14/h4-10H,12H2,1-3H3InChIKey
KXMUDNCYHNYELJ-UHFFFAOYSA-NSynonyms
4(((5(34DIMETHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5(34dimethoxyphenyl)4methyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(5(34DIMETHOXYPHENYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC(=C(C=C3)OC)OC
InChI=1SC20H18N4O3Sc12419(158917(262)18(1015)273)222320(24)281216(25)146413(1121)5714h410H12H213H3
MFCD08670577
ZINC000009328183
ZINC09328183
ZINC9328183
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