Vitas-M small molecule compound
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL406106
SMILES O=C(c1ccc2c(c1)OCCCO2)CSc1nnc(n1C(C)C)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 C25H27N3O5S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5S/c1-16(2)28-24(18-6-8-21-23(14-18)33-12-4-10-31-21)26-27-25(28)34-15-19(29)17-5-7-20-22(13-17)32-11-3-9-30-20/h5-8,13-14,16H,3-4,9-12,15H2,1-2H3InChIKey
UJTVLAAOBSUOKQ-UHFFFAOYSA-NSynonyms
1(34dihydro2H15benzodioxepin7yl)2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)ethanone
1(34dihydro2H15benzodioxepin7yl)2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)ethanone
CC(C)N1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC25H27N3O5Sc116(2)2824(18682123(1418)33124103121)262725(28)341519(29)17572022(1317)3211393020h58131416H3491215H212H3
MFCD27220698
ZINC000064986905
ZINC64986905
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