Vitas-M small molecule compound

2-(7,7-dimethyl-2,5-dioxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile

Catalog ID
STK779424
SMILES N#Cc1c(sc2c1CCCCCC2)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 C28H30N2O2S MW 458.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2S/c1-28(2)15-22-26(23(31)16-28)20(18-10-6-5-7-11-18)14-25(32)30(22)27-21(17-29)19-12-8-3-4-9-13-24(19)33-27/h5-7,10-11,20H,3-4,8-9,12-16H2,1-2H3
InChIKey
LKHOVFSHODHKJC-UHFFFAOYSA-N
Synonyms

2(77dimethyl25dioxo4phenyl345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(77dimethyl25dioxo4phenyl3468tetrahydroquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCCC4)C#N)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC28H30N2O2Sc128(2)152226(23(31)1628)20(18106571118)1425(32)30(22)2721(1729)191283491324(19)3327h57101120H34891216H212H3
MFCD05858542
ZINC000012402389
ZINC000012402390

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Available files

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