Vitas-M small molecule compound
2-[2,5-dioxo-4-(2,3,4-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK780737
SMILES COc1c(OC)ccc(c1OC)C1CC(=O)N(C2=C1C(=O)CCC2)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 C27H28N2O5S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O5S/c1-32-21-12-11-16(25(33-2)26(21)34-3)17-13-23(31)29(19-8-6-9-20(30)24(17)19)27-18(14-28)15-7-4-5-10-22(15)35-27/h11-12,17H,4-10,13H2,1-3H3InChIKey
HZOUCZJSZDSIKP-UHFFFAOYSA-NSynonyms
2(25dioxo4(234trimethoxyphenyl)345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(25dioxo4(234trimethoxyphenyl)4678tetrahydro3Hquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
COC1=C(C(=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCC5)C#N)OC)OC
InChI=1SC27H28N2O5Sc13221121116(25(332)26(21)343)171323(31)29(1986920(30)24(17)19)2718(1428)157451022(15)3527h111217H41013H213H3
MFCD06013572
ZINC000001432040
ZINC000001432041
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