Vitas-M small molecule compound
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Catalog ID
STL406105
SMILES O=C(c1ccc2c(c1)CCCC2)CSc1nnc(n1C1CC1)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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c30-22(19-7-6-17-4-1-2-5-18(17)14-19)16-33-26-28-27-25(29(26)21-9-10-21)20-8-11-23-24(15-20)32-13-3-12-31-23/h6-8,11,14-15,21H,1-5,9-10,12-13,16H2InChIKey
XPSUVKBZVRFNQT-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)1(5678tetrahydronaphthalen2yl)ethanone
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)1(5678tetrahydronaphthalen2yl)ethanone
C1CCC2=C(C1)C=CC(=C2)C(=O)CSC3=NN=C(N3C4CC4)C5=CC6=C(C=C5)OCCCO6
InChI=1SC26H27N3O3Sc3022(197617412518(17)1419)163326282725(29(26)2191021)208112324(1520)32133123123h6811141521H15910121316H2
MFCD30704399
ZINC000101150831
ZINC101150831
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