Vitas-M small molecule compound
(5Z)-5-{[(2-chlorophenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK991739
SMILES N#CC1=C(C)/C(=C/Nc2ccccc2Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
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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 C18H16ClN3O4S MW 405.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O4S/c1-11-13(8-20)17(23)22(12-6-7-27(25,26)10-12)18(24)14(11)9-21-16-5-3-2-4-15(16)19/h2-5,9,12,21H,6-7,10H2,1H3/b14-9-InChIKey
GMVBVKAVXXEFJU-ZROIWOOFSA-NSynonyms
(5Z)5(((2chlorophenyl)amino)methylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((2chloroanilino)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(Z)5(((2chlorophenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=CC=C2Cl)C3CCS(=O)(=O)C3)C#N
InChI=1SC18H16ClN3O4Sc11113(820)17(23)22(126727(2526)1012)18(24)14(11)92116532415(16)19h2591221H6710H21H3b149
MFCD09847383
N#CC1=C(C)C(=CNc2ccccc2Cl)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000013655816
ZINC000013655819
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