Vitas-M small molecule compound
(5Z)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK623837
SMILES N#CC1=C(C)/C(=C/Nc2ccc3c(c2)OCO3)/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 C19H17N3O6S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O6S/c1-11-14(7-20)18(23)22(13-4-5-29(25,26)9-13)19(24)15(11)8-21-12-2-3-16-17(6-12)28-10-27-16/h2-3,6,8,13,21H,4-5,9-10H2,1H3/b15-8-InChIKey
HWBYSHSSGBWCRW-NVNXTCNLSA-NSynonyms
(5Z)5((13benzodioxol5ylamino)methylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((13benzodioxol5ylamino)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(Z)5((benzo(d)(13)dioxol5ylamino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC3=C(C=C2)OCO3)C4CCS(=O)(=O)C4)C#N
InChI=1SC19H17N3O6Sc11114(720)18(23)22(134529(2526)913)19(24)15(11)82112231617(612)28102716h23681321H45910H21H3b158
MFCD09790982
N#CC1=C(C)C(=CNc2ccc3c(c2)OCO3)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000009423384
ZINC000009423385
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