Vitas-M small molecule compound

2-methoxy-4-[(E)-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenyl 3-nitrobenzoate

Catalog ID
STL416817
SMILES COc1cc(/C=N/Nc2scc(n2)c2ccc(cc2)C)ccc1OC(=O)c1cccc(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 C25H20N4O5S MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O5S/c1-16-6-9-18(10-7-16)21-15-35-25(27-21)28-26-14-17-8-11-22(23(12-17)33-2)34-24(30)19-4-3-5-20(13-19)29(31)32/h3-15H,1-2H3,(H,27,28)/b26-14+
InChIKey
YBEGRPKZHNORRV-VULFUBBASA-N
Synonyms

(2methoxy4((E)((4(4methylphenyl)13thiazol2yl)hydrazinylidene)methyl)phenyl)3nitrobenzoate
2methoxy4((E)(2(4(4methylphenyl)13thiazol2yl)hydrazinylidene)methyl)phenyl3nitrobenzoate
2METHOXY4(2(4(4METHYLPHENYL)13THIAZOL2YL)CARBOHYDRAZONOYL)PHENYL3NITROBENZOATE
CC1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))OC
COc1cc(C=NNc2scc(n2)c2ccc(cc2)C)ccc1OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H20N4O5Sc1166918(10716)21153525(2721)2826141781122(23(1217)332)3424(30)1943520(1319)29(31)32h315H12H3(H2728)b2614+
MFCD02181856
ZINC000008384936
ZINC33633888

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Available files

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