Vitas-M small molecule compound
methyl {[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STL338821
SMILES COC(=O)CSc1nnc(n1N)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 C13H16N4O4S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O4S/c1-19-9-5-4-8(6-10(9)20-2)12-15-16-13(17(12)14)22-7-11(18)21-3/h4-6H,7,14H2,1-3H3InChIKey
NRPXYHLWOXLEKD-UHFFFAOYSA-NSynonyms
678546-78-6678546786
COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)OC)OC
InChI=1SC13H16N4O4Sc1199548(610(9)202)12151613(17(12)14)22711(18)213h46H714H213H3
methyl((4amino5(34dimethoxyphenyl)4H124triazol3yl)sulfanyl)acetate
METHYL2((4AMINO5(34DIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETATE
methyl2((4amino5(34dimethoxyphenyl)4H124triazol3yl)thio)acetate
METHYL2(4AMINO5(34DIMETHOXYPHENYL)124TRIAZOL3YLTHIO)ACETATE
MFCD04006523
ZINC000000523165
ZINC00523165
ZINC523165
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