Vitas-M small molecule compound
[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]acetonitrile
Catalog ID
STL434379
SMILES N#CCn1c(=O)sc2c1nc1c(c2c2cc3OCOc3c(c2OC)OC)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 C21H19N5O5S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5S/c1-10(2)26-19-12(8-23-26)14(18-20(24-19)25(6-5-22)21(27)32-18)11-7-13-16(31-9-30-13)17(29-4)15(11)28-3/h7-8,10H,6,9H2,1-4H3InChIKey
FHLKVZUDWVCJOY-UHFFFAOYSA-NSynonyms
(4(67dimethoxy13benzodioxol5yl)6oxo1(propan2yl)1Hpyrazolo(34b)(13)thiazolo(54e)pyridin7(6H)yl)acetonitrile
CC(C)N1C2=NC3=C(C(=C2C=N1)C4=CC5=C(C(=C4OC)OC)OCO5)SC(=O)N3CC#N
InChI=1SC21H19N5O5Sc110(2)261912(82326)14(1820(2419)25(6522)21(27)3218)1171316(3193013)17(294)15(11)283h7810H69H214H3
MFCD26098787
ZINC000085413088
ZINC85413088
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