Vitas-M small molecule compound
ethyl 4-[({[5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL417536
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc([nH]1)c1cc(OC)cc(c1)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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-4-30-20(27)13-5-7-15(8-6-13)22-18(26)12-31-21-23-19(24-25-21)14-9-16(28-2)11-17(10-14)29-3/h5-11H,4,12H2,1-3H3,(H,22,26)(H,23,24,25)InChIKey
IPHVZGJFKRSNCQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC(=C3)OC)OC
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc((nH)1)c1cc(OC)cc(c1)OC
ethyl4((((5(35dimethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((5(35DIMETHOXYPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC21H22N4O5Sc143020(27)135715(8613)2218(26)1231212319(242521)14916(282)1117(1014)293h511H412H213H3(H2226)(H232425)
MFCD05815791
ZINC000006498002
ZINC06498002
ZINC6498002
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