Vitas-M small molecule compound
6-(9-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK659203
SMILES COc1cc(cc2c1OCCCO2)c1sc2n(n1)c(nn2)C(C)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 C16H18N4O3S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S/c1-9(2)14-17-18-16-20(14)19-15(24-16)10-7-11(21-3)13-12(8-10)22-5-4-6-23-13/h7-9H,4-6H2,1-3H3InChIKey
HFDFAGMMLYJYEJ-UHFFFAOYSA-NSynonyms
1144471-40-81144471408
3isopropyl6(9methoxy34dihydro2Hbenzo(b)(14)dioxepin7yl)(124)triazolo(34b)(134)thiadiazole
6(6methoxy34dihydro2H15benzodioxepin8yl)3propan2yl(124)triazolo(34b)(134)thiadiazole
6(9methoxy34dihydro2H15benzodioxepin7yl)3(propan2yl)(124)triazolo(34b)(134)thiadiazole
CC(C)C1=NN=C2N1N=C(S2)C3=CC4=C(C(=C3)OC)OCCCO4
InChI=1SC16H18N4O3Sc19(2)1417181620(14)1915(2416)10711(213)1312(810)225462313h79H46H213H3
MFCD12218314
ZINC000032105535
ZINC32105535
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