Vitas-M small molecule compound
2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethanone
Catalog ID
STK498112
SMILES CCOc1cc(C)ccc1OCc1nnc(n1CC)SCC(=O)N1CCOCC1
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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 C20H28N4O4S MW 420.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O4S/c1-4-24-18(13-28-16-7-6-15(3)12-17(16)27-5-2)21-22-20(24)29-14-19(25)23-8-10-26-11-9-23/h6-7,12H,4-5,8-11,13-14H2,1-3H3InChIKey
WWXCCGBBVHCBHZ-UHFFFAOYSA-NSynonyms
2((5((2ethoxy4methylphenoxy)methyl)4ethyl124triazol3yl)sulfanyl)1morpholin4ylethanone
2((5((2ethoxy4methylphenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)1(morpholin4yl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCOCC2)COC3=C(C=C(C=C3)C)OCC
InChI=1SC20H28N4O4Sc142418(1328167615(3)1217(16)2752)212220(24)291419(25)238102611923h6712H458111314H213H3
MFCD11855282
ZINC000032579548
ZINC32579548
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