Vitas-M small molecule compound
2-[4-(2,3-dimethoxyphenyl)-7,7-dimethyl-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
STK779772
SMILES COc1c(OC)cccc1C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)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 C29H32N2O4S MW 504.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O4S/c1-29(2)14-21-26(22(32)15-29)19(18-10-8-11-23(34-3)27(18)35-4)13-25(33)31(21)28-20(16-30)17-9-6-5-7-12-24(17)36-28/h8,10-11,19H,5-7,9,12-15H2,1-4H3InChIKey
RNEFLBHOADPWOK-UHFFFAOYSA-NSynonyms
2(4(23dimethoxyphenyl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(4(23dimethoxyphenyl)77dimethyl25dioxo3468tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCC4)C#N)C5=C(C(=CC=C5)OC)OC)C(=O)C1)C
InChI=1SC29H32N2O4Sc129(2)142126(22(32)1529)19(181081123(343)27(18)354)1325(33)31(21)2820(1630)1796571224(17)3628h8101119H5791215H214H3
MFCD05859144
ZINC000001430158
ZINC000001430159
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