Vitas-M small molecule compound
2-{7,7-dimethyl-2,5-dioxo-4-[4-(prop-2-en-1-yloxy)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK779469
SMILES C=CCOc1ccc(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 C29H30N2O3S MW 486.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O3S/c1-4-13-34-19-11-9-18(10-12-19)21-14-26(33)31(23-15-29(2,3)16-24(32)27(21)23)28-22(17-30)20-7-5-6-8-25(20)35-28/h4,9-12,21H,1,5-8,13-16H2,2-3H3InChIKey
ZSRNHKGPQAZTDN-UHFFFAOYSA-NSynonyms
2(77dimethyl25dioxo4(4(prop2en1yloxy)phenyl)345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(77dimethyl25dioxo4(4prop2enoxyphenyl)3468tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCC4)C#N)C5=CC=C(C=C5)OCC=C)C(=O)C1)C
InChI=1SC29H30N2O3Sc1413341911918(101219)211426(33)31(231529(23)1624(32)27(21)23)2822(1730)20756825(20)3528h491221H1581316H223H3
MFCD05858587
ZINC000012402373
ZINC000012402374
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