Vitas-M small molecule compound
(5Z)-5-{[(4-chloro-3-nitrophenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK719272
SMILES N#CC1=C(C)/C(=C/Nc2ccc(c(c2)[N+](=O)[O-])Cl)/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 C18H15ClN4O6S MW 450.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O6S/c1-10-13(7-20)17(24)22(12-4-5-30(28,29)9-12)18(25)14(10)8-21-11-2-3-15(19)16(6-11)23(26)27/h2-3,6,8,12,21H,4-5,9H2,1H3/b14-8-InChIKey
ZLLAOYDHNSXRMX-ZSOIEALJSA-NSynonyms
(5Z)5(((4chloro3nitrophenyl)amino)methylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((4chloro3nitroanilino)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(Z)5(((4chloro3nitrophenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC(=C(C=C2)Cl)(N+)(=O)(O))C3CCS(=O)(=O)C3)C#N
InChI=1SC18H15ClN4O6Sc11013(720)17(24)22(124530(2829)912)18(25)14(10)821112315(19)16(611)23(26)27h23681221H459H21H3b148
MFCD09794133
N#CC1=C(C)C(=CNc2ccc(c(c2)(N+)(=O)(O))Cl)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000008990972
ZINC000008990973
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