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

Catalog ID
STK380777
SMILES CCn1/c(=c\2/s/c(=C\3/C(=NN(C3=O)c3ccc(cc3)[N+](=O)[O-])C)/n(c2=O)c2cccc(c2)C)/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 C29H23N5O4S2 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O4S2/c1-4-31-22-10-5-6-11-23(22)39-29(31)25-27(36)32(21-9-7-8-17(2)16-21)28(40-25)24-18(3)30-33(26(24)35)19-12-14-20(15-13-19)34(37)38/h5-16H,4H2,1-3H3/b28-24-,29-25-
InChIKey
CCLFBZSSDBOYJZ-OYUJONNZSA-N
Synonyms

(2Z5Z)5(3ethyl13benzothiazol2(3H)ylidene)2(3methyl1(4nitrophenyl)5oxo15dihydro4Hpyrazol4ylidene)3(3methylphenyl)13thiazolidin4one
(2Z5Z)5(3ethyl13benzothiazol2ylidene)2(3methyl1(4nitrophenyl)5oxopyrazol4ylidene)3(3methylphenyl)13thiazolidin4one
5(3ETHYL(3HYDROBENZOTHIAZOL2YLIDENE))2(3METHYL1(4NITROPHENYL)5OXO(12DIAZOLIN4YLIDENE))3(3METHYLPHENYL)13THIAZOLIDIN4ONE
CCn1c(=c2sc(=C3C(=NN(C3=O)c3ccc(cc3)(N+)(=O)(O))C)n(c2=O)c2cccc(c2)C)sc2c1cccc2
CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=C4C(=NN(C4=O)C5=CC=C(C=C5)(N+)(=O)(O))C)S3)C6=CC=CC(=C6)C
InChI=1SC29H23N5O4S2c14312210561123(22)3929(31)2527(36)32(2197817(2)1621)28(4025)2418(3)3033(26(24)35)19121420(151319)34(37)38h516H4H213H3b28242925
MFCD02187930
ZINC000100200793
ZINC100200793

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Available files

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