Vitas-M small molecule compound
2-[4-(4-ethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779474
SMILES CCOc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCCC2
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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 C28H30N2O3S MW 474.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3S/c1-2-33-19-14-12-18(13-15-19)21-16-26(32)30(23-9-7-10-24(31)27(21)23)28-22(17-29)20-8-5-3-4-6-11-25(20)34-28/h12-15,21H,2-11,16H2,1H3InChIKey
XVKGPZJCLDFRPC-UHFFFAOYSA-NSynonyms
2(4(4ethoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(4ethoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CCOC1=CC=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC28H30N2O3Sc123319141218(131519)211626(32)30(23971024(31)27(21)23)2822(1729)20853461125(20)3428h121521H21116H21H3
MFCD05858592
ZINC000001429685
ZINC000001429686
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