Vitas-M small molecule compound
ethyl ({(1Z)-1-[(5-cyano-2,4-dimethyl-1H-pyrrol-3-yl)methylidene]-6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl}sulfanyl)acetate
Catalog ID
STK687424
SMILES CCOC(=O)CSc1nc(C)cc2c1C(=O)O/C/2=C\c1c(C)[nH]c(c1C)C#N
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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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-5-26-17(24)9-28-19-18-14(6-10(2)22-19)16(27-20(18)25)7-13-11(3)15(8-21)23-12(13)4/h6-7,23H,5,9H2,1-4H3/b16-7-InChIKey
KAKQKBDYOFYCJP-APSNUPSMSA-NSynonyms
CCOC(=O)CSC1=C2C(=CC(=N1)C)C(=CC3=C(NC(=C3C)C#N)C)OC2=O
CCOC(=O)CSc1nc(C)cc2c1C(=O)OC2=Cc1c(C)(nH)c(c1C)C#N
ethyl(((1Z)1((5cyano24dimethyl1Hpyrrol3yl)methylidene)6methyl3oxo13dihydrofuro(34c)pyridin4yl)sulfanyl)acetate
ETHYL2((1Z)1((5CYANO24DIMETHYL1HPYRROL3YL)METHYLIDENE)6METHYL3OXOFURO(34C)PYRIDIN4YL)SULFANYLACETATE
InChI=1SC20H19N3O4Sc152617(24)928191814(610(2)2219)16(2720(18)25)71311(3)15(821)2312(13)4h6723H59H214H3b167
MFCD06618784
ZINC000004751819
ZINC04751819
ZINC4751819
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