Vitas-M small molecule compound
N-(2,5-dimethylphenyl)-2-[(5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STK246169
SMILES O=C(Nc1ccc(cc1C)C)Cc1nnc(n1c1ccccc1)SCC(=O)Nc1cc(C)ccc1C
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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 C28H29N5O2S MW 499.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O2S/c1-18-11-13-23(21(4)14-18)29-26(34)16-25-31-32-28(33(25)22-8-6-5-7-9-22)36-17-27(35)30-24-15-19(2)10-12-20(24)3/h5-15H,16-17H2,1-4H3,(H,29,34)(H,30,35)InChIKey
YZXMVZGMXKTKTR-UHFFFAOYSA-NSynonyms
2(5(2(25dimethylanilino)2oxoethyl)sulfanyl4phenyl124triazol3yl)N(24dimethylphenyl)acetamide
CC1=CC(=C(C=C1)NC(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C)C)C
InChI=1SC28H29N5O2Sc118111323(21(4)1418)2926(34)1625313228(33(25)228657922)361727(35)30241519(2)101220(24)3h515H1617H214H3(H2934)(H3035)
MFCD08683815
N(24DIMETHYLPHENYL)2(5((25DIMETHYLPHENYLCARBAMOYL)METHYLSULFANYL)4PHENYL4H(124)TRIAZOL3YL)ACETAMIDE
N(25dimethylphenyl)2((5(2((24dimethylphenyl)amino)2oxoethyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000009265177
ZINC09265177
ZINC9265177
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