Vitas-M small molecule compound
N-{[5-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK177522
SMILES O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccccc1)CNC(=O)c1cccc(c1)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/c1-18-9-7-12-21(15-18)26(34)28-16-23-30-31-27(32(23)22-13-5-4-6-14-22)35-17-24(33)29-25-19(2)10-8-11-20(25)3/h4-15H,16-17H2,1-3H3,(H,28,34)(H,29,33)InChIKey
RDGSTKVURNXHTG-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)C
InChI=1SC27H27N5O2Sc118971221(1518)26(34)281623303127(32(23)22135461422)351724(33)292519(2)1081120(25)3h415H1617H213H3(H2834)(H2933)
MFCD04386773
N((5((2((26DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(26dimethylanilino)2oxoethyl)sulfanyl4phenyl124triazol3yl)methyl)3methylbenzamide
ZINC000009260846
ZINC09260846
ZINC9260846
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