Vitas-M small molecule compound
N-{1-[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-hydroxyethyl}-4-methoxybenzamide
Catalog ID
STK186662
SMILES OCC(c1nnc(n1C)SCC(=O)Nc1cccc(c1C)C)NC(=O)c1ccc(cc1)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 C23H27N5O4S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O4S/c1-14-6-5-7-18(15(14)2)24-20(30)13-33-23-27-26-21(28(23)3)19(12-29)25-22(31)16-8-10-17(32-4)11-9-16/h5-11,19,29H,12-13H2,1-4H3,(H,24,30)(H,25,31)InChIKey
NGEFQDZEMOTWLC-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C)C(CO)NC(=O)C3=CC=C(C=C3)OC)C
InChI=1SC23H27N5O4Sc11465718(15(14)2)2420(30)133323272621(28(23)3)19(1229)2522(31)1681017(324)11916h5111929H1213H214H3(H2430)(H2531)
MFCD06006491
N(1(5((2((23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
N(1(5(2(23DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)2HYDROXYETHYL)4METHOXYBENZAMIDE
ZINC000001062434
ZINC000001062437
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