Vitas-M small molecule compound
2-[4-(3,4-dimethoxyphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Catalog ID
STK780706
SMILES COc1cc(ccc1OC)C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCC2
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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 C27H28N2O4S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4S/c1-32-22-12-11-16(13-23(22)33-2)18-14-25(31)29(20-8-6-9-21(30)26(18)20)27-19(15-28)17-7-4-3-5-10-24(17)34-27/h11-13,18H,3-10,14H2,1-2H3InChIKey
SIWVMCVMWLBSQT-UHFFFAOYSA-NSynonyms
2(4(34dimethoxyphenyl)25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(4(34dimethoxyphenyl)25dioxo4678tetrahydro3Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
COC1=C(C=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N)OC
InChI=1SC27H28N2O4Sc13222121116(1323(22)332)181425(31)29(2086921(30)26(18)20)2719(1528)1774351024(17)3427h111318H31014H212H3
MFCD06013539
ZINC000001431987
ZINC000001431988
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