Vitas-M small molecule compound
methyl [4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetate
Catalog ID
STL434378
SMILES COC(=O)Cn1c(=O)sc2c1nc1n(ncc1c2c1cc2OCOc2c(c1OC)OC)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 C22H22N4O7S MW 486.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O7S/c1-10(2)26-20-12(7-23-26)15(19-21(24-20)25(22(28)34-19)8-14(27)29-3)11-6-13-17(33-9-32-13)18(31-5)16(11)30-4/h6-7,10H,8-9H2,1-5H3InChIKey
UNNAISOCYDYLPY-UHFFFAOYSA-NSynonyms
CC(C)N1C2=NC3=C(C(=C2C=N1)C4=CC5=C(C(=C4OC)OC)OCO5)SC(=O)N3CC(=O)OC
InChI=1SC22H22N4O7Sc110(2)262012(72326)15(1921(2420)25(22(28)3419)814(27)293)1161317(3393213)18(315)16(11)304h6710H89H215H3
methyl(4(67dimethoxy13benzodioxol5yl)6oxo1(propan2yl)1Hpyrazolo(34b)(13)thiazolo(54e)pyridin7(6H)yl)acetate
MFCD26098786
ZINC000085413087
ZINC85413087
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