Vitas-M small molecule compound
cyanomethyl 4-{5-[(Z)-(5-cyano-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK124071
SMILES N#CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)NC(=O)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 C21H13N3O5 MW 387.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O5/c1-12-16(19(25)24-20(26)17(12)11-23)10-15-6-7-18(29-15)13-2-4-14(5-3-13)21(27)28-9-8-22/h2-7,10H,9H2,1H3,(H,24,25,26)/b16-10-InChIKey
GMRMGIRWASIOFQ-YBEGLDIGSA-NSynonyms
CC1=C(C(=O)NC(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC#N)C#N
CYANOMETHYL4(5((Z)(5CYANO4METHYL26DIOXO16DIHYDROPYRIDIN3(2H)YLIDENE)METHYL)FURAN2YL)BENZOATE
CYANOMETHYL4(5((Z)(5CYANO4METHYL26DIOXOPYRIDIN3YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC21H13N3O5c11216(19(25)2420(26)17(12)1123)10156718(2915)132414(5313)21(27)289822h2710H9H21H3(H242526)b1610
MFCD07546408
N#CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NC(=O)C(=C1C)C#N
ZINC000012630388
ZINC12630388
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