Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL415833
SMILES O=C(N1CCCCCC1)CSc1nnc(n1c1ccccc1)c1ccc2c(c1)OCCCO2
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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 C25H28N4O3S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S/c30-23(28-13-6-1-2-7-14-28)18-33-25-27-26-24(29(25)20-9-4-3-5-10-20)19-11-12-21-22(17-19)32-16-8-15-31-21/h3-5,9-12,17H,1-2,6-8,13-16,18H2InChIKey
UUWZWESHRJOOAH-UHFFFAOYSA-NSynonyms
1(azepan1yl)2((5(34dihydro2H15benzodioxepin7yl)4phenyl124triazol3yl)sulfanyl)ethanone
1(azepan1yl)2((5(34dihydro2H15benzodioxepin7yl)4phenyl4H124triazol3yl)sulfanyl)ethanone
C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC25H28N4O3Sc3023(281361271428)183325272624(29(25)2094351020)1911122122(1719)32168153121h3591217H1268131618H2
MFCD27221303
ZINC000064987319
ZINC64987319
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