Vitas-M small molecule compound
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[(1H-indol-5-ylamino)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STL010761
SMILES N#CC1=C(C)/C(=C/Nc2ccc3c(c2)cc[nH]3)/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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-12-16(9-21)19(25)24(15-5-7-29(27,28)11-15)20(26)17(12)10-23-14-2-3-18-13(8-14)4-6-22-18/h2-4,6,8,10,15,22-23H,5,7,11H2,1H3/b17-10-InChIKey
JPEOFMHHBZAEIV-YVLHZVERSA-NSynonyms
(5Z)1(11dioxidotetrahydrothiophen3yl)5((1Hindol5ylamino)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1(11dioxothiolan3yl)5((1Hindol5ylamino)methylidene)4methyl26dioxopyridine3carbonitrile
(Z)5(((1Hindol5yl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC3=C(C=C2)NC=C3)C4CCS(=O)(=O)C4)C#N
InChI=1SC20H18N4O4Sc11216(921)19(25)24(155729(2728)1115)20(26)17(12)102314231813(814)462218h246810152223H5711H21H3b1710
MFCD09847949
N#CC1=C(C)C(=CNc2ccc3c(c2)cc(nH)3)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000008991226
ZINC000008991227
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