Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(5-hydroxy-2-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK016805
SMILES Oc1ccc(c(c1)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)[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 C24H18N4O7 MW 474.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O7/c29-18-7-8-20(28(32)33)17(12-18)13-25-27-24(31)19(26-23(30)16-4-2-1-3-5-16)10-15-6-9-21-22(11-15)35-14-34-21/h1-13,29H,14H2,(H,26,30)(H,27,31)/b19-10+,25-13+InChIKey
BGTXXLQSIGDUHY-FRPIRNKASA-NSynonyms
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=C(C=CC(=C3)O)(N+)(=O)(O))NC(=O)C4=CC=CC=C4
InChI=1SC24H18N4O7c29187820(28(32)33)17(1218)13252724(31)19(2623(30)164213516)1015692122(1115)35143421h11329H14H2(H2630)(H2731)b1910+2513+
MFCD03033999
N((1E)1(13BENZODIOXOL5YL)3((2E)2(5HYDROXY2NITROBENZYLIDENE)HYDRAZINYL)3OXOPROP1EN2YL)BENZAMIDE
N((E)1(13benzodioxol5yl)3((2E)2((5hydroxy2nitrophenyl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
Oc1ccc(c(c1)C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)(N+)(=O)(O)
STK016805
ZINC000013940187
ZINC33772140
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