Vitas-M small molecule compound
2-[4-(2-methoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779489
SMILES COc1ccccc1C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCCC2
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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/c1-32-23-13-7-6-9-17(23)19-15-25(31)29(21-11-8-12-22(30)26(19)21)27-20(16-28)18-10-4-2-3-5-14-24(18)33-27/h6-7,9,13,19H,2-5,8,10-12,14-15H2,1H3InChIKey
GBQHBLAMBHFCGH-UHFFFAOYSA-NSynonyms
2(4(2methoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(2methoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
COC1=CC=CC=C1C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC27H28N2O3Sc132231376917(23)191525(31)29(211181222(30)26(19)21)2720(1628)181042351424(18)3327h6791319H25810121415H21H3
MFCD05858607
ZINC000001429729
ZINC000001429730
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