Vitas-M small molecule compound
2-{7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK779465
SMILES CSc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)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 C27H28N2O2S2 MW 476.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S2/c1-27(2)13-21-25(22(30)14-27)19(16-8-10-17(32-3)11-9-16)12-24(31)29(21)26-20(15-28)18-6-4-5-7-23(18)33-26/h8-11,19H,4-7,12-14H2,1-3H3InChIKey
KCSGYQOMAGEOLS-UHFFFAOYSA-NSynonyms
2(77dimethyl4(4(methylsulfanyl)phenyl)25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(77dimethyl4(4methylsulfanylphenyl)25dioxo3468tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCC4)C#N)C5=CC=C(C=C5)SC)C(=O)C1)C
InChI=1SC27H28N2O2S2c127(2)132125(22(30)1427)19(1681017(323)11916)1224(31)29(21)2620(1528)18645723(18)3326h81119H471214H213H3
MFCD05858583
ZINC000001429671
ZINC000001429672
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