Vitas-M small molecule compound
2-[4-(2,3-dichlorophenyl)-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
STK779761
SMILES N#Cc1c(sc2c1CCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1Cl)Cl
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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 C27H26Cl2N2O2S MW 513.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N2O2S/c1-27(2)12-20-24(21(32)13-27)17(16-8-6-9-19(28)25(16)29)11-23(33)31(20)26-18(14-30)15-7-4-3-5-10-22(15)34-26/h6,8-9,17H,3-5,7,10-13H2,1-2H3InChIKey
ZWVBMPLXJPNTTQ-UHFFFAOYSA-NSynonyms
2(4(23dichlorophenyl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(4(23dichlorophenyl)77dimethyl25dioxo3468tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCC4)C#N)C5=C(C(=CC=C5)Cl)Cl)C(=O)C1)C
InChI=1SC27H26Cl2N2O2Sc127(2)122024(21(32)1327)17(1686919(28)25(16)29)1123(33)31(20)2618(1430)1574351022(15)3426h68917H3571013H212H3
MFCD05859125
ZINC000012402383
ZINC000012402384
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