Vitas-M small molecule compound
methyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Catalog ID
STK709565
SMILES COC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1)Cl)c1ccco1
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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 C21H18ClN3O4S MW 443.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O4S/c1-12-18(20(27)25-14-7-5-13(22)6-8-14)19(16-4-3-9-29-16)15(10-23)21(24-12)30-11-17(26)28-2/h3-9,19,24H,11H2,1-2H3,(H,25,27)InChIKey
DZSJGFAOXXPURB-UHFFFAOYSA-NSynonyms
375836-15-0375836150
CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CO2)C(=O)NC3=CC=C(C=C3)Cl
InChI=1SC21H18ClN3O4Sc11218(20(27)25147513(22)6814)19(164392916)15(1023)21(2412)301117(26)282h391924H11H212H3(H2527)
methyl((5((4chlorophenyl)carbamoyl)3cyano4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetate
METHYL2((5((4CHLOROPHENYL)CARBAMOYL)3CYANO4(FURAN2YL)6METHYL14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
METHYL2((5((4CHLOROPHENYL)CARBAMOYL)3CYANO4(FURAN2YL)6METHYL14DIHYDROPYRIDIN2YL)THIO)ACETATE
METHYL2(5(N(4CHLOROPHENYL)CARBAMOYL)3CYANO4(2FURYL)6METHYL214DIHYDROPYRIDYLTHIO)ACETATE
MFCD02232674
ZINC000000876080
ZINC000000876083
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