Vitas-M small molecule compound
methyl 4,5-dimethoxy-2-[({[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK743568
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)CSc1nnc(n1C)c1cccnc1)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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-25-18(12-6-5-7-21-10-12)23-24-20(25)31-11-17(26)22-14-9-16(29-3)15(28-2)8-13(14)19(27)30-4/h5-10H,11H2,1-4H3,(H,22,26)InChIKey
IOZXDQSOOFGOKJ-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C3=CN=CC=C3
InChI=1SC20H21N5O5Sc12518(12657211012)232420(25)311117(26)2214916(293)15(282)813(14)19(27)304h510H11H214H3(H2226)
METHYL45DIMETHOXY2((((4METHYL5(3PYRIDINYL)4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
methyl45dimethoxy2((((4methyl5(pyridin3yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL45DIMETHOXY2((2((4METHYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05257163
ZINC000001422091
ZINC01422091
ZINC1422091
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