Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
Catalog ID
STL406179
SMILES O=C(N1CCCCC1)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 C21H28N4O3S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S/c1-15(2)25-20(16-7-8-17-18(13-16)28-12-6-11-27-17)22-23-21(25)29-14-19(26)24-9-4-3-5-10-24/h7-8,13,15H,3-6,9-12,14H2,1-2H3InChIKey
JRFBJQNBHPWNPS-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(piperidin1yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)1piperidin1ylethanone
CC(C)N1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H28N4O3Sc115(2)2520(16781718(1316)28126112717)222321(25)291419(26)2494351024h781315H3691214H212H3
MFCD27220701
ZINC000064986907
ZINC64986907
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