Vitas-M small molecule compound
tetramethyl 6'-[(3,4-dichlorophenyl)carbamoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK014161
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)Nc1ccc(c(c1)Cl)Cl)SC(=C(S2)C(=O)OC)C(=O)OC
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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 C31H26Cl2N2O9S3 MW 737.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26Cl2N2O9S3/c1-30(2)24-19(15-9-7-8-10-18(15)35(30)29(40)34-14-11-12-16(32)17(33)13-14)31(20(25(36)41-3)21(45-24)26(37)42-4)46-22(27(38)43-5)23(47-31)28(39)44-6/h7-13H,1-6H3,(H,34,40)InChIKey
KMLXQBWJPQDUQC-UHFFFAOYSA-NSynonyms
CC1(C2=C(C3=CC=CC=C3N1C(=O)NC4=CC(=C(C=C4)Cl)Cl)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)Nc1ccc(c(c1)Cl)Cl)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC31H26Cl2N2O9S3c130(2)2419(159781018(15)35(30)29(40)3414111216(32)17(33)1314)31(20(25(36)413)21(4524)26(37)424)4622(27(38)435)23(4731)28(39)446h713H16H3(H3440)
MFCD02240109
STK014161
tetramethyl6((34dichlorophenyl)carbamoyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6((34dichlorophenyl)carbamoyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6((34dichlorophenyl)carbamoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150442554
ZINC150442554
Check stock
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Check stock on Vitas-MAvailable files
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