Vitas-M small molecule compound
2-[4-(4-ethylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK780202
SMILES CCc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCC2
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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 C26H26N2O2S MW 430.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O2S/c1-2-16-10-12-17(13-11-16)19-14-24(30)28(21-7-5-8-22(29)25(19)21)26-20(15-27)18-6-3-4-9-23(18)31-26/h10-13,19H,2-9,14H2,1H3InChIKey
JIHNHILMTGHDLC-UHFFFAOYSA-NSynonyms
2(4(4ethylphenyl)25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(4(4ethylphenyl)25dioxo4678tetrahydro3Hquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
CCC1=CC=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N
InChI=1SC26H26N2O2Sc1216101217(131116)191424(30)28(2175822(29)25(19)21)2620(1527)18634923(18)3126h101319H2914H21H3
MFCD05859980
ZINC000001430888
ZINC000001430889
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