Vitas-M small molecule compound
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL336928
SMILES N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)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 C30H22N2O6S MW 538.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O6S/c1-18-26(30(35)37-16-19-8-3-2-4-9-19)27(25-12-7-13-36-25)22(15-31)28(32-18)39-17-23(33)21-14-20-10-5-6-11-24(20)38-29(21)34/h2-14,27,32H,16-17H2,1H3InChIKey
MJSUPSHGBUPOHB-UHFFFAOYSA-NSynonyms
796878-76-7796878767
benzyl5cyano4(furan2yl)2methyl6((2oxo2(2oxo2Hchromen3yl)ethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl5cyano4(furan2yl)2methyl6((2oxo2(2oxo2Hchromen3yl)ethyl)thio)14dihydropyridine3carboxylate
BENZYL5CYANO4(FURAN2YL)2METHYL6(2OXO2(2OXOCHROMEN3YL)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C#N)C4=CC=CO4)C(=O)OCC5=CC=CC=C5
InChI=1SC30H22N2O6Sc11826(30(35)3716198324919)27(25127133625)22(1531)28(3218)391723(33)21142010561124(20)3829(21)34h2142732H1617H21H3
MFCD03669696
ZINC000097951866
ZINC000097951867
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