Vitas-M small molecule compound
N-{[5-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK139540
SMILES Cc1cccc(c1)C(=O)NCc1nnc(n1c1ccccc1)SCC(=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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-18-9-7-11-21(15-18)26(34)28-16-24-30-31-27(32(24)22-12-5-4-6-13-22)35-17-25(33)29-23-14-8-10-19(2)20(23)3/h4-15H,16-17H2,1-3H3,(H,28,34)(H,29,33)InChIKey
SHBUXZDOSPSMSJ-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)C)C
InChI=1SC27H27N5O2Sc118971121(1518)26(34)281624303127(32(24)22125461322)351725(33)29231481019(2)20(23)3h415H1617H213H3(H2834)(H2933)
MFCD04402170
N((5((2((23DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(23DIMETHYLANILINO)2OXOETHYL)SULFANYL4PHENYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000002850823
ZINC02850823
ZINC2850823
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