Vitas-M small molecule compound
methyl 2-({[5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK886338
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1C(=O)OC)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 C28H23FN4O5S MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN4O5S/c1-16-24(26(35)33-21-7-4-3-6-19(21)28(36)37-2)25(22-8-5-13-38-22)20(14-30)27(31-16)39-15-23(34)32-18-11-9-17(29)10-12-18/h3-13,25,31H,15H2,1-2H3,(H,32,34)(H,33,35)InChIKey
UGSXODYHZJLHAR-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC28H23FN4O5Sc11624(26(35)3321743619(21)28(36)372)25(2285133822)20(1430)27(3116)391523(34)321811917(29)101218h3132531H15H212H3(H3234)(H3335)
methyl2(((5cyano6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
methyl2((5cyano6(2(4fluoroanilino)2oxoethyl)sulfanyl4(furan2yl)2methyl14dihydropyridine3carbonyl)amino)benzoate
MFCD10086810
ZINC000102760797
ZINC000102760799
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