Vitas-M small molecule compound
ethyl 4-({[5-cyano-4-(furan-2-yl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Catalog ID
STK826829
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1cccc(c1)OC
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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 C30H28N4O6S MW 572.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O6S/c1-4-39-30(37)19-10-12-20(13-11-19)34-28(36)26-18(2)32-29(23(16-31)27(26)24-9-6-14-40-24)41-17-25(35)33-21-7-5-8-22(15-21)38-3/h5-15,27,32H,4,17H2,1-3H3,(H,33,35)(H,34,36)InChIKey
OZXGUDYNHFQKEH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NC4=CC(=CC=C4)OC)C
ethyl4(((5cyano4(furan2yl)6((2((3methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridin3yl)carbonyl)amino)benzoate
ethyl4((5cyano4(furan2yl)6(2(3methoxyanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carbonyl)amino)benzoate
InChI=1SC30H28N4O6Sc143930(37)19101220(131119)3428(36)2618(2)3229(23(1631)27(26)2496144024)411725(35)332175822(1521)383h5152732H417H213H3(H3335)(H3436)
MFCD10086825
ZINC000102513662
ZINC000102513666
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