Vitas-M small molecule compound
(5Z)-5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STL008867
SMILES N#CC1=C(C)/C(=C/Nc2ccc3c(c2)OCCO3)/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 C20H19N3O6S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S/c1-12-15(9-21)19(24)23(14-4-7-30(26,27)11-14)20(25)16(12)10-22-13-2-3-17-18(8-13)29-6-5-28-17/h2-3,8,10,14,22H,4-7,11H2,1H3/b16-10-InChIKey
QICBPOKSEJNKHT-YBEGLDIGSA-NSynonyms
(5Z)5((23dihydro14benzodioxin6ylamino)methylidene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((23dihydro14benzodioxin6ylamino)methylidene)1(11dioxothiolan3yl)4methyl26dioxopyridine3carbonitrile
(Z)5(((23dihydrobenzo(b)(14)dioxin6yl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
CC1=C(C(=O)N(C(=O)C1=CNC2=CC3=C(C=C2)OCCO3)C4CCS(=O)(=O)C4)C#N
InChI=1SC20H19N3O6Sc11215(921)19(24)23(144730(2627)1114)20(25)16(12)102213231718(813)29652817h238101422H4711H21H3b1610
MFCD09847072
N#CC1=C(C)C(=CNc2ccc3c(c2)OCCO3)C(=O)N(C1=O)C1CCS(=O)(=O)C1
ZINC000009423685
ZINC000009423686
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