Vitas-M small molecule compound
2-[4-(3-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK779458
SMILES COc1cccc(c1)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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-27(2)13-21-25(22(30)14-27)19(16-7-6-8-17(11-16)32-3)12-24(31)29(21)26-20(15-28)18-9-4-5-10-23(18)33-26/h6-8,11,19H,4-5,9-10,12-14H2,1-3H3InChIKey
MOZFGNQKOJRDBF-UHFFFAOYSA-NSynonyms
2(4(3methoxyphenyl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(4(3methoxyphenyl)77dimethyl25dioxo3468tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCC4)C#N)C5=CC(=CC=C5)OC)C(=O)C1)C
InChI=1SC27H28N2O3Sc127(2)132125(22(30)1427)19(1676817(1116)323)1224(31)29(21)2620(1528)189451023(18)3326h681119H459101214H213H3
MFCD05858576
ZINC000001429657
ZINC000001429658
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