Vitas-M small molecule compound
N-(2,3-dimethylphenyl)-5-methyl-1-(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129707
SMILES CSc1cccc(c1)NC(=O)Cn1nnc(c1C)C(=O)Nc1cccc(c1C)C
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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 C21H23N5O2S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S/c1-13-7-5-10-18(14(13)2)23-21(28)20-15(3)26(25-24-20)12-19(27)22-16-8-6-9-17(11-16)29-4/h5-11H,12H2,1-4H3,(H,22,27)(H,23,28)InChIKey
AAYLOLMJCSLGPM-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=CC=C3)SC)C)C
InChI=1SC21H23N5O2Sc113751018(14(13)2)2321(28)2015(3)26(252420)1219(27)221686917(1116)294h511H12H214H3(H2227)(H2328)
MFCD20747661
N(23dimethylphenyl)5methyl1(2((3(methylsulfanyl)phenyl)amino)2oxoethyl)1H123triazole4carboxamide
N(23dimethylphenyl)5methyl1(2(3methylsulfanylanilino)2oxoethyl)triazole4carboxamide
ZINC000067322695
ZINC67322695
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