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-(piperidin-1-yl)ethanone

Catalog ID
STL406200
SMILES O=C(N1CCCCC1)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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c26-19(24-9-2-1-3-10-24)14-29-21-23-22-20(25(21)16-6-7-16)15-5-8-17-18(13-15)28-12-4-11-27-17/h5,8,13,16H,1-4,6-7,9-12,14H2
InChIKey
GBPLXWWRBUZDID-UHFFFAOYSA-N
Synonyms

2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)1piperidin1ylethanone
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)1(piperidin1yl)ethanone
C1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC21H26N4O3Sc2619(2492131024)142921232220(25(21)166716)15581718(1315)28124112717h581316H146791214H2
MFCD27221050
ZINC000064987138
ZINC64987138

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Available files

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