Vitas-M small molecule compound
N-(2,5-dimethoxyphenyl)-5-methyl-1-(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129704
SMILES COc1ccc(c(c1)NC(=O)c1nnn(c1C)CC(=O)Nc1cccc(c1)SC)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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-13-20(21(28)23-17-11-15(29-2)8-9-18(17)30-3)24-25-26(13)12-19(27)22-14-6-5-7-16(10-14)31-4/h5-11H,12H2,1-4H3,(H,22,27)(H,23,28)InChIKey
GSQMOCFGMZGUKA-UHFFFAOYSA-NSynonyms
CC1=C(N=NN1CC(=O)NC2=CC(=CC=C2)SC)C(=O)NC3=C(C=CC(=C3)OC)OC
InChI=1SC21H23N5O4Sc11320(21(28)23171115(292)8918(17)303)242526(13)1219(27)221465716(1014)314h511H12H214H3(H2227)(H2328)
MFCD20747658
N(25dimethoxyphenyl)5methyl1(2((3(methylsulfanyl)phenyl)amino)2oxoethyl)1H123triazole4carboxamide
N(25dimethoxyphenyl)5methyl1(2(3methylsulfanylanilino)2oxoethyl)triazole4carboxamide
ZINC000067322686
ZINC67322686
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