Vitas-M small molecule compound
2-{4-[(4Z)-4-{[4-(diethylamino)phenyl]imino}-3-heptadecyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]phenyl}-1,3-benzothiazole-5-sulfonic acid
Catalog ID
STK366432
SMILES CCCCCCCCCCCCCCCCCC1=NN(C(=O)/C/1=N\c1ccc(cc1)N(CC)CC)c1ccc(cc1)c1sc2c(n1)cc(cc2)S(=O)(=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 C43H57N5O4S2 MW 772.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H57N5O4S2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38-41(44-34-24-28-35(29-25-34)47(5-2)6-3)43(49)48(46-38)36-26-22-33(23-27-36)42-45-39-32-37(54(50,51)52)30-31-40(39)53-42/h22-32H,4-21H2,1-3H3,(H,50,51,52)/b44-41-InChIKey
UNTWOYQPDGCYOO-OYDBNLDZSA-NSynonyms
2(4((4Z)4((4(diethylamino)phenyl)imino)3heptadecyl5oxo45dihydro1Hpyrazol1yl)phenyl)13benzothiazole5sulfonicacid
CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1=Nc1ccc(cc1)N(CC)CC)c1ccc(cc1)c1sc2c(n1)cc(cc2)S(=O)(=O)O
MFCD00308325
ZINC000097962840
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