Vitas-M small molecule compound
2-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]ethanol
Catalog ID
STL291112
SMILES OCCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]
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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 C20H16N4O6S MW 440.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O6S/c25-12-11-23(20-17-3-1-2-4-19(17)31(28,29)22-20)21-13-16-9-10-18(30-16)14-5-7-15(8-6-14)24(26)27/h1-10,13,25H,11-12H2/b21-13+InChIKey
YPWBZCQCQCCWFP-FYJGNVAPSA-NSynonyms
2((11dioxo12benzothiazol3yl)((E)(5(4nitrophenyl)furan2yl)methylideneamino)amino)ethanol
2((2E)1(11dioxido12benzothiazol3yl)2((5(4nitrophenyl)furan2yl)methylidene)hydrazinyl)ethanol
C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCO)N=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H16N4O6Sc25121123(2017312419(17)31(2829)2220)21131691018(3016)145715(8614)24(26)27h1101325H1112H2b2113+
MFCD03215014
OCCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000027572081
ZINC34931451
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