Vitas-M small molecule compound
N-{1-[5-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamide
Catalog ID
STK140066
SMILES O=C(Nc1ccc(cc1C)C)CSc1nnc(n1C)C(NC(=O)c1ccccc1C)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 C23H27N5O2S MW 437.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O2S/c1-14-10-11-19(16(3)12-14)25-20(29)13-31-23-27-26-21(28(23)5)17(4)24-22(30)18-9-7-6-8-15(18)2/h6-12,17H,13H2,1-5H3,(H,24,30)(H,25,29)InChIKey
CMCMVIIDIIBJHY-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3C)C
InChI=1SC23H27N5O2Sc114101119(16(3)1214)2520(29)133123272621(28(23)5)17(4)2422(30)18976815(18)2h61217H13H215H3(H2430)(H2529)
MFCD05986438
N(1(5((2((24DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)2METHYLBENZAMIDE
N(1(5(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)2METHYLBENZAMIDE
ZINC000001128676
ZINC000001128678
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