Vitas-M small molecule compound

methyl (5Z)-1-(3,5-dimethylphenyl)-2-methyl-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160098
SMILES COC(=O)C1=C(C)N(/C(=C\c2sccc2C)/C1=O)c1cc(C)cc(c1)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 C21H21NO3S MW 367.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3S/c1-12-8-13(2)10-16(9-12)22-15(4)19(21(24)25-5)20(23)17(22)11-18-14(3)6-7-26-18/h6-11H,1-5H3/b17-11-
InChIKey
LDQLVYWQTIUMJL-BOPFTXTBSA-N
Synonyms

CC1=C(SC=C1)C=C2C(=O)C(=C(N2C3=CC(=CC(=C3)C)C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=Cc2sccc2C)C1=O)c1cc(C)cc(c1)C
InChI=1SC21H21NO3Sc112813(2)1016(912)2215(4)19(21(24)255)20(23)17(22)111814(3)672618h611H15H3b1711
METHYL(5Z)1(35DIMETHYLPHENYL)2METHYL5((3METHYLTHIOPHEN2YL)METHYLIDENE)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(5Z)1(35DIMETHYLPHENYL)2METHYL5((3METHYLTHIOPHEN2YL)METHYLIDENE)4OXOPYRROLE3CARBOXYLATE
MFCD02216930
ZINC000001101486
ZINC01101486
ZINC1101486

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Available files

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