Vitas-M small molecule compound
2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Catalog ID
STL406010
SMILES COc1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1cc2OCCCOc2cc1C
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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 C23H26N4O4S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S/c1-4-27-22(18-13-20-19(12-15(18)2)30-10-5-11-31-20)25-26-23(27)32-14-21(28)24-16-6-8-17(29-3)9-7-16/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,28)InChIKey
ISFFQMJDAIIGCZ-UHFFFAOYSA-NSynonyms
2((4ethyl5(8methyl34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
2((4ethyl5(8methyl34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)C3=CC4=C(C=C3C)OCCCO4
InChI=1SC23H26N4O4Sc142722(18132019(1215(18)2)30105113120)252623(27)321421(28)24166817(293)9716h691213H45101114H213H3(H2428)
MFCD27221095
ZINC000064987181
ZINC64987181
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