Vitas-M small molecule compound
(5Z)-5-[4-(diethylamino)benzylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK594148
SMILES CCN(c1ccc(cc1)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N)CC
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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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-4-24(5-2)17-8-6-16(7-9-17)12-19-15(3)20(13-23)22(27)25(21(19)26)18-10-11-30(28,29)14-18/h6-9,12,18H,4-5,10-11,14H2,1-3H3/b19-12-InChIKey
UJQZZXDDELIDKS-UNOMPAQXSA-NSynonyms
877804-65-4(5Z)5((4(DIETHYLAMINO)PHENYL)METHYLIDENE)1(11DIOXOTHIOLAN3YL)4METHYL26DIOXOPYRIDINE3CARBONITRILE
(5Z)5(4(diethylamino)benzylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(Z)5(4(diethylamino)benzylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
877804654
CCN(c1ccc(cc1)C=C1C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N)CC
CCN(CC)C1=CC=C(C=C1)C=C2C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C
InChI=1SC22H25N3O4Sc1424(52)178616(7917)121915(3)20(1323)22(27)25(21(19)26)18101130(2829)1418h691218H45101114H213H3b1912
MFCD05704734
ZINC000009293598
ZINC000009293599
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