Vitas-M small molecule compound
4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridine-3,6(2H,7H)-dione
Catalog ID
STL434290
SMILES COc1cc(cc2c1OCO2)c1c2sc(=O)[nH]c2nc2c1c(=O)[nH]n2C(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 C18H16N4O5S MW 400.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5S/c1-7(2)22-16-12(17(23)21-22)11(14-15(19-16)20-18(24)28-14)8-4-9(25-3)13-10(5-8)26-6-27-13/h4-5,7H,6H2,1-3H3,(H,21,23)(H,19,20,24)InChIKey
DXMCAXGTOIMAGV-UHFFFAOYSA-NSynonyms
4(7methoxy13benzodioxol5yl)1(propan2yl)1Hpyrazolo(34b)(13)thiazolo(54e)pyridine36(2H7H)dione
CC(C)N1C2=NC3=C(C(=C2C(=O)N1)C4=CC5=C(C(=C4)OC)OCO5)SC(=O)N3
COc1cc(cc2c1OCO2)c1c2sc(=O)(nH)c2nc2c1c(=O)(nH)n2C(C)C
InChI=1SC18H16N4O5Sc17(2)221612(17(23)2122)11(1415(1916)2018(24)2814)849(253)1310(58)2662713h457H6H213H3(H2123)(H192024)
MFCD26098711
ZINC000085412501
ZINC85412501
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