Vitas-M small molecule compound
methyl 2-({[6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK886004
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)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 C28H23ClN4O5S MW 563.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN4O5S/c1-16-24(26(35)33-21-10-4-3-9-19(21)28(36)37-2)25(22-11-6-12-38-22)20(14-30)27(31-16)39-15-23(34)32-18-8-5-7-17(29)13-18/h3-13,25,31H,15H2,1-2H3,(H,32,34)(H,33,35)InChIKey
BJFBEZPRPZGZBL-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC28H23ClN4O5Sc11624(26(35)33211043919(21)28(36)372)25(22116123822)20(1430)27(3116)391523(34)321885717(29)1318h3132531H15H212H3(H3234)(H3335)
methyl2(((6((2((3chlorophenyl)amino)2oxoethyl)sulfanyl)5cyano4(furan2yl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
methyl2((6(2(3chloroanilino)2oxoethyl)sulfanyl5cyano4(furan2yl)2methyl14dihydropyridine3carbonyl)amino)benzoate
MFCD10086542
ZINC000102760746
ZINC000102760749
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