Vitas-M small molecule compound
4-{(4E)-4-[(5Z)-3-cyclohexyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonic acid
Catalog ID
STK675977
SMILES Cn1/c(=c\2/s/c(=C/3\C(=NN(C3=O)c3ccc(cc3)S(=O)(=O)O)C)/n(c2=O)C2CCCCC2)/sc2c1cccc2
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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 C27H26N4O5S3 MW 582.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5S3/c1-16-22(24(32)31(28-16)18-12-14-19(15-13-18)39(34,35)36)26-30(17-8-4-3-5-9-17)25(33)23(38-26)27-29(2)20-10-6-7-11-21(20)37-27/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,34,35,36)/b26-22+,27-23-InChIKey
VRJATHVQDGTDGY-FLPXOHCLSA-NSynonyms
4((4E)4((5Z)3cyclohexyl5(3methyl13benzothiazol2(3H)ylidene)4oxo13thiazolidin2ylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzenesulfonicacid
4((4E)4((5Z)3CYCLOHEXYL5(3METHYL13BENZOTHIAZOL2YLIDENE)4OXO13THIAZOLIDIN2YLIDENE)3METHYL5OXOPYRAZOL1YL)BENZENESULFONICACID
CC1=NN(C(=O)C1=C2N(C(=O)C(=C3N(C4=CC=CC=C4S3)C)S2)C5CCCCC5)C6=CC=C(C=C6)S(=O)(=O)O
Cn1c(=c2sc(=C3C(=NN(C3=O)c3ccc(cc3)S(=O)(=O)O)C)n(c2=O)C2CCCCC2)sc2c1cccc2
InChI=1SC27H26N4O5S3c11622(24(32)31(2816)18121419(151318)39(3435)36)2630(178435917)25(33)23(3826)2729(2)2010671121(20)3727h67101517H3589H212H3(H343536)b2622+2723
MFCD02110211
ZINC000097966141
ZINC97966141
Check stock
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