Vitas-M small molecule compound

3-[5-(4-chlorophenyl)-1-(2-{[2-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)-1H-pyrrol-2-yl]propanoic acid

Catalog ID
STL138574
SMILES COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)O)ccc1c1ccc(cc1)Cl

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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 C23H21ClN2O5 MW 440.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O5/c1-31-23(30)18-4-2-3-5-19(18)25-21(27)14-26-17(11-13-22(28)29)10-12-20(26)15-6-8-16(24)9-7-15/h2-10,12H,11,13-14H2,1H3,(H,25,27)(H,28,29)
InChIKey
KOCHXEDQJYSZQJ-UHFFFAOYSA-N
Synonyms

3(5(4chlorophenyl)1(2((2(methoxycarbonyl)phenyl)amino)2oxoethyl)1Hpyrrol2yl)propanoicacid
3(5(4CHLOROPHENYL)1(2(2METHOXYCARBONYLANILINO)2OXOETHYL)PYRROL2YL)PROPANOICACID
COC(=O)C1=CC=CC=C1NC(=O)CN2C(=CC=C2C3=CC=C(C=C3)Cl)CCC(=O)O
InChI=1SC23H21ClN2O5c13123(30)18423519(18)2521(27)142617(111322(28)29)101220(26)156816(24)9715h21012H111314H21H3(H2527)(H2829)
MFCD05846988
ZINC000014153075
ZINC14153075

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Available files

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