Vitas-M small molecule compound
N-(3,4-dimethylphenyl)-2-(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
Catalog ID
STK497595
SMILES CCn1c(nnc1SCC(=O)N1CCOCC1)CC(=O)Nc1ccc(c(c1)C)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 C20H27N5O3S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O3S/c1-4-25-17(12-18(26)21-16-6-5-14(2)15(3)11-16)22-23-20(25)29-13-19(27)24-7-9-28-10-8-24/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,21,26)InChIKey
CGUQAFVJRJPUKU-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)N2CCOCC2)CC(=O)NC3=CC(=C(C=C3)C)C
InChI=1SC20H27N5O3Sc142517(1218(26)21166514(2)15(3)1116)222320(25)291319(27)24792810824h5611H47101213H213H3(H2126)
MFCD11854979
N(34dimethylphenyl)2(4ethyl5((2(morpholin4yl)2oxoethyl)sulfanyl)4H124triazol3yl)acetamide
N(34dimethylphenyl)2(4ethyl5(2morpholin4yl2oxoethyl)sulfanyl124triazol3yl)acetamide
ZINC000032579341
ZINC32579341
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