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(2E,5Z)-3-butyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-[3-methyl-1-(3-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-1,3-thiazolidin-4-one

Catalog ID
STK368229
SMILES CCCCn1/c(=C\2/C(=NN(C2=O)c2cccc(c2)[N+](=O)[O-])C)/s/c(=c/2\sc3c(n2C)cc(cc3)OC)/c1=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 C26H25N5O5S2 MW 551.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O5S2/c1-5-6-12-29-24(33)22(26-28(3)19-14-18(36-4)10-11-20(19)37-26)38-25(29)21-15(2)27-30(23(21)32)16-8-7-9-17(13-16)31(34)35/h7-11,13-14H,5-6,12H2,1-4H3/b25-21+,26-22-
InChIKey
JRIYXOJZKGLECM-AERNQAQFSA-N
Synonyms

(2E5Z)3butyl5(5methoxy3methyl13benzothiazol2(3H)ylidene)2(3methyl1(3nitrophenyl)5oxo15dihydro4Hpyrazol4ylidene)13thiazolidin4one
(2E5Z)3BUTYL5(5METHOXY3METHYL13BENZOTHIAZOL2YLIDENE)2(3METHYL1(3NITROPHENYL)5OXOPYRAZOL4YLIDENE)13THIAZOLIDIN4ONE
3BUTYL5(5METHOXY3METHYL(3HYDROBENZOTHIAZOL2YLIDENE))2(3METHYL1(3NITROPHENYL)5OXO(12DIAZOLIN4YLIDENE))13THIAZOLIDIN4ONE
CCCCn1c(=C2C(=NN(C2=O)c2cccc(c2)(N+)(=O)(O))C)sc(=c2sc3c(n2C)cc(cc3)OC)c1=O
CCCCN1C(=C2C(=NN(C2=O)C3=CC(=CC=C3)(N+)(=O)(O))C)SC(=C4N(C5=C(S4)C=CC(=C5)OC)C)C1=O
InChI=1SC26H25N5O5S2c156122924(33)22(2628(3)191418(364)101120(19)3726)3825(29)2115(2)2730(23(21)32)1687917(1316)31(34)35h7111314H5612H214H3b2521+2622
MFCD00625260
ZINC000004016438
ZINC4016438

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Available files

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