Vitas-M small molecule compound
ethyl 5-cyano-6-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)sulfanyl]-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886215
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2)c1ccccc1
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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 C32H31N3O6S2 MW 617.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O6S2/c1-3-39-31(37)26-20-13-8-9-15-23(20)43-30(26)34-24(36)18-42-29-21(17-33)25(22-14-10-16-41-22)27(32(38)40-4-2)28(35-29)19-11-6-5-7-12-19/h5-7,10-12,14,16,25,35H,3-4,8-9,13,15,18H2,1-2H3,(H,34,36)InChIKey
XLQNFYDQTWCNLT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)C5=CC=CC=C5
ethyl5cyano6((2((3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4(furan2yl)2phenyl14dihydropyridine3carboxylate
ethyl5cyano6(2((3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4(furan2yl)2phenyl14dihydropyridine3carboxylate
InChI=1SC32H31N3O6S2c133931(37)262013891523(20)4330(26)3424(36)18422921(1733)25(221410164122)27(32(38)4042)28(3529)19116571219h57101214162535H3489131518H212H3(H3436)
MFCD05033548
ZINC000033357724
ZINC000033357725
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