Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK922120
SMILES CCOC(=O)C1=C(CSc2nc3ccccc3nc2C)OC(=C(C1c1ccccc1F)C#N)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 C25H21FN4O3S MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN4O3S/c1-3-32-25(31)22-20(13-34-24-14(2)29-18-10-6-7-11-19(18)30-24)33-23(28)16(12-27)21(22)15-8-4-5-9-17(15)26/h4-11,21H,3,13,28H2,1-2H3InChIKey
QJJYUIPCQRQZRH-UHFFFAOYSA-NSynonyms
712308-14-0712308140
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC4=CC=CC=C4N=C3C
ethyl6amino5cyano4(2fluorophenyl)2(((3methylquinoxalin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO4(2FLUOROPHENYL)2((3METHYLQUINOXALIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO4(2FLUOROPHENYL)2((3METHYLQUINOXALIN2YLTHIO)METHYL)4HPYRAN3CARBOXYLATE
InChI=1SC25H21FN4O3Sc133225(31)2220(13342414(2)291810671119(18)3024)3323(28)16(1227)21(22)15845917(15)26h41121H31328H212H3
MFCD05720342
ZINC000003656806
ZINC000003656807
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