Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethanone
Catalog ID
STL415823
SMILES CC1CCCC(N1C(=O)CSc1nnc(n1C)c1ccc2c(c1)OCCCO2)C
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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/c1-14-6-4-7-15(2)25(14)19(26)13-29-21-23-22-20(24(21)3)16-8-9-17-18(12-16)28-11-5-10-27-17/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3InChIKey
OGFLLCIQLBQDDN-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)1(26dimethylpiperidin1yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)1(26dimethylpiperidin1yl)ethanone
CC1CCCC(N1C(=O)CSC2=NN=C(N2C)C3=CC4=C(C=C3)OCCCO4)C
InChI=1SC21H28N4O3Sc11464715(2)25(14)19(26)132921232220(24(21)3)16891718(1216)28115102717h89121415H47101113H213H3
MFCD27220660
ZINC000064986877
ZINC000064986879
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