Vitas-M small molecule compound
2-(7,7-dimethyl-2,5-dioxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK779394
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1ccccc1
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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/c1-26(2)13-20-24(21(29)14-26)18(16-8-4-3-5-9-16)12-23(30)28(20)25-19(15-27)17-10-6-7-11-22(17)31-25/h3-5,8-9,18H,6-7,10-14H2,1-2H3InChIKey
IHGYYADFBJAGFF-UHFFFAOYSA-NSynonyms
2(77dimethyl25dioxo4phenyl345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(77dimethyl25dioxo4phenyl3468tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC26H26N2O2Sc126(2)132024(21(29)1426)18(168435916)1223(30)28(20)2519(1527)1710671122(17)3125h358918H671014H212H3
MFCD05858512
ZINC000001429560
ZINC000001429561
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