Vitas-M small molecule compound
5-{5-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]furan-2-yl}-2-chlorobenzoic acid
Catalog ID
STL428323
SMILES OC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=N/Nc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1
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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 C27H20ClN7O3 MW 525.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN7O3/c28-22-13-11-17(15-21(22)24(36)37)23-14-12-20(38-23)16-29-35-27-33-25(30-18-7-3-1-4-8-18)32-26(34-27)31-19-9-5-2-6-10-19/h1-16H,(H,36,37)(H3,30,31,32,33,34,35)/b29-16+InChIKey
NCUWQDYBTCIACW-MUFRIFMGSA-NSynonyms
2chloro5(5((E)((46dianilino135triazin2yl)hydrazinylidene)methyl)furan2yl)benzoicacid
5(5((E)(2(46bis(phenylamino)135triazin2yl)hydrazinylidene)methyl)furan2yl)2chlorobenzoicacid
C1=CC=C(C=C1)NC2=NC(=NC(=N2)NN=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)NC5=CC=CC=C5
InChI=1SC27H20ClN7O3c2822131117(1521(22)24(36)37)23141220(3823)162935273325(30187314818)3226(3427)311995261019h116H(H3637)(H3303132333435)b2916+
MFCD02627771
OC(=O)c1cc(ccc1Cl)c1ccc(o1)C=NNc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1
ZINC000101090484
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