Vitas-M small molecule compound
(5E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK593390
SMILES N#CC1=C(C)/C(=C\c2cn(nc2c2ccccc2)c2ccccc2)/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 C27H22N4O4S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4S/c1-18-23(26(32)31(27(33)24(18)15-28)22-12-13-36(34,35)17-22)14-20-16-30(21-10-6-3-7-11-21)29-25(20)19-8-4-2-5-9-19/h2-11,14,16,22H,12-13,17H2,1H3/b23-14+InChIKey
GIGGVSCJVXCAMW-OEAKJJBVSA-NSynonyms
850243-42-4(5E)1(11dioxidotetrahydrothiophen3yl)5((13diphenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5E)1(11DIOXOTHIOLAN3YL)5((13DIPHENYLPYRAZOL4YL)METHYLIDENE)4METHYL26DIOXOPYRIDINE3CARBONITRILE
(E)1(11dioxidotetrahydrothiophen3yl)5((13diphenyl1Hpyrazol4yl)methylene)4methyl26dioxo1256tetrahydropyridine3carbonitrile
850243424
CC1=C(C(=O)N(C(=O)C1=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5CCS(=O)(=O)C5)C#N
InChI=1SC27H22N4O4Sc11823(26(32)31(27(33)24(18)1528)22121336(3435)1722)14201630(21106371121)2925(20)198425919h211141622H121317H21H3b2314+
MFCD05692125
N#CC1=C(C)C(=Cc2cn(nc2c2ccccc2)c2ccccc2)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000101222212
ZINC000101222214
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