Vitas-M small molecule compound
ethyl (2Z)-5-amino-8-cyano-3-oxo-7-(pyridin-3-yl)-2-(pyridin-3-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Catalog ID
STK754981
SMILES CCOC(=O)C1=C(N)n2c(=C(C1c1cccnc1)C#N)s/c(=C\c1cccnc1)/c2=O
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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 C22H17N5O3S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O3S/c1-2-30-22(29)18-17(14-6-4-8-26-12-14)15(10-23)21-27(19(18)24)20(28)16(31-21)9-13-5-3-7-25-11-13/h3-9,11-12,17H,2,24H2,1H3/b16-9-InChIKey
HJFIULLLRWQZBM-SXGWCWSVSA-NSynonyms
CCOC(=O)C1=C(N)n2c(=C(C1c1cccnc1)C#N)sc(=Cc1cccnc1)c2=O
CCOC(=O)C1=C(N2C(=C(C1C3=CN=CC=C3)C#N)SC(=CC4=CN=CC=C4)C2=O)N
ethyl(2Z)5amino8cyano3oxo7(pyridin3yl)2(pyridin3ylmethylidene)23dihydro7H(13)thiazolo(32a)pyridine6carboxylate
ETHYL(2Z)5AMINO8CYANO3OXO7PYRIDIN3YL2(PYRIDIN3YLMETHYLENE)23DIHYDRO7H(13)THIAZOLO(32A)PYRIDINE6CARBOXYLATE
ETHYL(2Z)5AMINO8CYANO3OXO7PYRIDIN3YL2(PYRIDIN3YLMETHYLIDENE)7H(13)THIAZOLO(32A)PYRIDINE6CARBOXYLATE
InChI=1SC22H17N5O3Sc123022(29)1817(14648261214)15(1023)2127(19(18)24)20(28)16(3121)913537251113h39111217H224H21H3b169
MFCD00827072
ZINC000003663053
ZINC000003663055
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