Vitas-M small molecule compound

(5Z)-5-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidine-2,4-dione

Catalog ID
STK737699
SMILES Cl/C(=C\c1ccc(cc1)[N+](=O)[O-])/C=C/1\SC(=O)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C

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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 C23H17ClN4O5S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O5S/c1-14-20(22(30)27(25(14)2)17-6-4-3-5-7-17)26-21(29)19(34-23(26)31)13-16(24)12-15-8-10-18(11-9-15)28(32)33/h3-13H,1-2H3/b16-12-,19-13-
InChIKey
BSPZJTFMGUMBOP-DFQGPDHMSA-N
Synonyms

(5Z)5((2Z)2chloro3(4nitrophenyl)prop2en1ylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)13thiazolidine24dione
(5Z)5((Z)2CHLORO3(4NITROPHENYL)PROP2ENYLIDENE)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)13THIAZOLIDINE24DIONE
(Z)5((Z)2chloro3(4nitrophenyl)allylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)thiazolidine24dione
5((2Z)2CHLORO3(4NITROPHENYL)PROP2ENYLIDENE)3(23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))13THIAZOLIDINE24DIONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC(=CC4=CC=C(C=C4)(N+)(=O)(O))Cl)SC3=O
ClC(=Cc1ccc(cc1)(N+)(=O)(O))C=C1SC(=O)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC23H17ClN4O5Sc11420(22(30)27(25(14)2)176435717)2621(29)19(3423(26)31)1316(24)121581018(11915)28(32)33h313H12H3b16121913
MFCD02077647
ZINC000001248135
ZINC01248135
ZINC1248135

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Available files

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