Vitas-M small molecule compound
4-(4-benzylpiperidin-1-yl)-6-[(2E)-2-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
Catalog ID
STK675159
SMILES COc1ccc(cc1)Nc1nc(N/N=C/c2ccc(o2)c2ccc(c(c2C)C)[N+](=O)[O-])nc(n1)N1CCC(CC1)Cc1ccccc1
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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 C35H36N8O4 MW 632.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N8O4/c1-23-24(2)31(43(44)45)15-14-30(23)32-16-13-29(47-32)22-36-41-34-38-33(37-27-9-11-28(46-3)12-10-27)39-35(40-34)42-19-17-26(18-20-42)21-25-7-5-4-6-8-25/h4-16,22,26H,17-21H2,1-3H3,(H2,37,38,39,40,41)/b36-22+InChIKey
PUBCXQVHYPNYQX-HPNXWYHWSA-NSynonyms
4(4benzylpiperidin1yl)6((2E)2((5(23dimethyl4nitrophenyl)furan2yl)methylidene)hydrazinyl)N(4methoxyphenyl)135triazin2amine
6(4benzylpiperidin1yl)2N((E)(5(23dimethyl4nitrophenyl)furan2yl)methylideneamino)4N(4methoxyphenyl)135triazine24diamine
CC1=C(C=CC(=C1C)(N+)(=O)(O))C2=CC=C(O2)C=NNC3=NC(=NC(=N3)NC4=CC=C(C=C4)OC)N5CCC(CC5)CC6=CC=CC=C6
COc1ccc(cc1)Nc1nc(NN=Cc2ccc(o2)c2ccc(c(c2C)C)(N+)(=O)(O))nc(n1)N1CCC(CC1)Cc1ccccc1
InChI=1SC35H36N8O4c12324(2)31(43(44)45)151430(23)32161329(4732)223641343833(372791128(463)121027)3935(4034)42191726(182042)21257546825h4162226H1721H213H3(H23738394041)b3622+
MFCD01029660
ZINC000033355540
ZINC102779572
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