Vitas-M small molecule compound
(5E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK572042
SMILES N#CC1=C(C)/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/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 C22H17N3O7S MW 467.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O7S/c1-13-17(10-15-6-7-20(32-15)16-4-2-3-5-19(16)25(28)29)21(26)24(22(27)18(13)11-23)14-8-9-33(30,31)12-14/h2-7,10,14H,8-9,12H2,1H3/b17-10+InChIKey
NWJTYRWGPJABJV-LICLKQGHSA-NSynonyms
850762-39-9(5E)1(11dioxidotetrahydrothiophen3yl)4methyl5((5(2nitrophenyl)furan2yl)methylidene)26dioxo1256tetrahydropyridine3carbonitrile
(5E)1(11DIOXOTHIOLAN3YL)4METHYL5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)26DIOXOPYRIDINE3CARBONITRILE
(E)1(11dioxidotetrahydrothiophen3yl)4methyl5((5(2nitrophenyl)furan2yl)methylene)26dioxo1256tetrahydropyridine3carbonitrile
850762399
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(O2)C3=CC=CC=C3(N+)(=O)(O))C4CCS(=O)(=O)C4)C#N
InChI=1SC22H17N3O7Sc11317(10156720(3215)16423519(16)25(28)29)21(26)24(22(27)18(13)1123)148933(3031)1214h271014H8912H21H3b1710+
MFCD05695006
N#CC1=C(C)C(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000100958969
ZINC000100958973
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