Vitas-M small molecule compound
N-{4-[5-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-2-methylbenzamide
Catalog ID
STL357637
SMILES O=C(Nc1ccc(cc1C)C)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1C
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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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-17-9-14-23(19(3)15-17)29-24(33)16-35-27-31-30-25(32(27)4)20-10-12-21(13-11-20)28-26(34)22-8-6-5-7-18(22)2/h5-15H,16H2,1-4H3,(H,28,34)(H,29,33)InChIKey
JKBUEHIHPWFBKM-UHFFFAOYSA-NSynonyms
444059-44-3444059443
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C)C
InChI=1SC27H27N5O2Sc11791423(19(3)1517)2924(33)163527313025(32(27)4)20101221(131120)2826(34)22865718(22)2h515H16H214H3(H2834)(H2933)
MFCD02953947
N(4(5((2((24dimethylphenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)phenyl)2methylbenzamide
N(4(5((2((24dimethylphenyl)amino)2oxoethyl)thio)4methyl4H124triazol3yl)phenyl)2methylbenzamide
N(4(5((2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)2METHYLBENZAMIDE
N(4(5(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)PHENYL)2METHYLBENZAMIDE
ZINC000000669514
ZINC00669514
ZINC669514
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