Vitas-M small molecule compound
methyl {[4-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STL354019
SMILES COC(=O)CSc1nnc(n1c1ccc(c(c1)C)C)c1ccncc1
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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 C18H18N4O2S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-12-4-5-15(10-13(12)2)22-17(14-6-8-19-9-7-14)20-21-18(22)25-11-16(23)24-3/h4-10H,11H2,1-3H3InChIKey
SSVVAFXWZYBJCL-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=NC=C3)C
InChI=1SC18H18N4O2Sc1124515(1013(12)2)2217(1468199714)202118(22)251116(23)243h410H11H213H3
methyl((4(34dimethylphenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetate
METHYL2((4(34DIMETHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETATE
MFCD03861964
ZINC000000663923
ZINC00663923
ZINC663923
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