Vitas-M small molecule compound
(5Z)-5-[(1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157159
SMILES Clc1ccc(c(c1)Cl)COc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\SC(=O)N(C1=O)Cc1cccc(c1)[N+](=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 C30H23Cl2N3O5S MW 608.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Cl2N3O5S/c1-18-12-22(14-28-29(36)33(30(37)41-28)16-20-4-3-5-25(13-20)35(38)39)19(2)34(18)24-8-10-26(11-9-24)40-17-21-6-7-23(31)15-27(21)32/h3-15H,16-17H2,1-2H3/b28-14-InChIKey
AUPPWJMHTAPXRJ-MUXKCCDJSA-NSynonyms
(5Z)5((1(4((24DICHLOROBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
(5Z)5((1(4((24DICHLOROPHENYL)METHOXY)PHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)C)C=C4C(=O)N(C(=O)S4)CC5=CC(=CC=C5)(N+)(=O)(O)
Clc1ccc(c(c1)Cl)COc1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC30H23Cl2N3O5Sc1181222(142829(36)33(30(37)4128)162043525(1320)35(38)39)19(2)34(18)2481026(11924)4017216723(31)1527(21)32h315H1617H212H3b2814
MFCD03226876
ZINC000100236456
ZINC100236456
Check stock
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Check stock on Vitas-MAvailable files
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