Vitas-M small molecule compound

dimethyl 5-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-propyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,3-dicarboxylate

Catalog ID
STK561970
SMILES CCCc1nn(c(c1/C(=N/c1cc(cc(c1)C(=O)OC)C(=O)OC)/C)O)c1nc2c(s1)cccc2

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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 C25H24N4O5S MW 492.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S/c1-5-8-19-21(22(30)29(28-19)25-27-18-9-6-7-10-20(18)35-25)14(2)26-17-12-15(23(31)33-3)11-16(13-17)24(32)34-4/h6-7,9-13,30H,5,8H2,1-4H3/b26-14+
InChIKey
ZGFBEKRSHLWOHI-VULFUBBASA-N
Synonyms

CCCc1nn(c(c1C(=Nc1cc(cc(c1)C(=O)OC)C(=O)OC)C)O)c1nc2c(s1)cccc2
MFCD03810138
ZINC000102644860

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.