Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK513904
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(o1)c1ccc(cc1Cl)[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 C28H19ClN4O7 MW 558.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN4O7/c29-22-14-19(33(36)37)7-9-21(22)24-11-8-20(40-24)15-30-32-28(35)23(31-27(34)18-4-2-1-3-5-18)12-17-6-10-25-26(13-17)39-16-38-25/h1-15H,16H2,(H,31,34)(H,32,35)/b23-12+,30-15+InChIKey
BIABGVGJZNKVBT-GVTWYCRYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)NC(=O)C5=CC=CC=C5
InChI=1SC28H19ClN4O7c29221419(33(36)37)7921(22)2411820(4024)15303228(35)23(3127(34)184213518)12176102526(1317)39163825h115H16H2(H3134)(H3235)b2312+3015+
MFCD02288166
N((1E)1(13benzodioxol5yl)3((2E)2((5(2chloro4nitrophenyl)furan2yl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
N((E)1(13benzodioxol5yl)3((2E)2((5(2chloro4nitrophenyl)furan2yl)methylidene)hydrazinyl)3oxoprop1en2yl)benzamide
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O)
ZINC000102276817
ZINC102276809
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