Vitas-M small molecule compound
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Catalog ID
STK821920
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C(=O)NC1CCS(=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 C18H15N3O6S MW 401.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O6S/c19-10-13(18(22)20-14-6-7-28(25,26)11-14)9-16-4-5-17(27-16)12-2-1-3-15(8-12)21(23)24/h1-5,8-9,14H,6-7,11H2,(H,20,22)/b13-9+InChIKey
ROAYBFYIPKWUJB-UKTHLTGXSA-NSynonyms
(2E)2cyanoN(11dioxidotetrahydrothiophen3yl)3(5(3nitrophenyl)furan2yl)prop2enamide
(E)2cyanoN(11dioxothiolan3yl)3(5(3nitrophenyl)furan2yl)prop2enamide
C1CS(=O)(=O)CC1NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C#N
InChI=1SC18H15N3O6Sc191013(18(22)20146728(2526)1114)9164517(2716)1221315(812)21(23)24h158914H6711H2(H2022)b139+
MFCD03463128
N#CC(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))C(=O)NC1CCS(=O)(=O)C1
ZINC000019927933
ZINC000019927936
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