Vitas-M small molecule compound
(3E)-9-[2-(morpholin-4-yl)ethyl]-3-[(5-nitrothiophen-2-yl)methylidene]-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
Catalog ID
STK072336
SMILES O=C1N=c2n(/C/1=C/c1ccc(s1)[N+](=O)[O-])c1c(n2CCN2CCOCC2)cccc1
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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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c26-19-17(13-14-5-6-18(30-14)25(27)28)24-16-4-2-1-3-15(16)23(20(24)21-19)8-7-22-9-11-29-12-10-22/h1-6,13H,7-12H2/b17-13+InChIKey
YKZQOBYHLIVXPS-GHRIWEEISA-NSynonyms
294893-01-9(1E)4(2MORPHOLIN4YLETHYL)1((5NITROTHIOPHEN2YL)METHYLIDENE)IMIDAZO(12A)BENZIMIDAZOL2ONE
(3E)9(2(MORPHOLIN4YL)ETHYL)3((5NITROTHIOPHEN2YL)METHYLIDENE)3HIMIDAZO(12A)BENZIMIDAZOL2(9H)ONE
(E)9(2morpholinoethyl)3((5nitrothiophen2yl)methylene)39dihydro2Hbenzo(d)imidazo(12a)imidazol2one
294893019
C1COCCN1CCN2C3=CC=CC=C3N4C2=NC(=O)C4=CC5=CC=C(S5)(N+)(=O)(O)
InChI=1SC20H19N5O4Sc261917(13145618(3014)25(27)28)2416421315(16)23(20(24)2119)872291129121022h1613H712H2b1713+
MFCD04016017
O=C1N=c2n(C1=Cc1ccc(s1)(N+)(=O)(O))c1c(n2CCN2CCOCC2)cccc1
STK072336
ZINC000013513132
ZINC13513132
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