Vitas-M small molecule compound
methyl [4-(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
STL434326
SMILES COC(=O)Cn1c(=O)sc2c1nc1c(c2c2ccc3c(c2)OCO3)cnn1C(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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-10(2)24-18-12(7-21-24)16(11-4-5-13-14(6-11)29-9-28-13)17-19(22-18)23(20(26)30-17)8-15(25)27-3/h4-7,10H,8-9H2,1-3H3InChIKey
IPWUBFDPPZQROU-UHFFFAOYSA-NSynonyms
CC(C)N1C2=NC3=C(C(=C2C=N1)C4=CC5=C(C=C4)OCO5)SC(=O)N3CC(=O)OC
InChI=1SC20H18N4O5Sc110(2)241812(72124)16(11451314(611)2992813)1719(2218)23(20(26)3017)815(25)273h4710H89H213H3
methyl(4(13benzodioxol5yl)6oxo1(propan2yl)1Hpyrazolo(34b)(13)thiazolo(54e)pyridin7(6H)yl)acetate
MFCD26098742
ZINC000085412662
ZINC85412662
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