Vitas-M small molecule compound

2-{[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid

Catalog ID
STK033516
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)C(C)(C)C)Nc1ccccc1C(=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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c1-20(2,3)22-17(24)12-9-8-11(10-14(12)18(22)25)16(23)21-15-7-5-4-6-13(15)19(26)27/h4-10H,1-3H3,(H,21,23)(H,26,27)
InChIKey
RXIOXCGRRDCHLU-UHFFFAOYSA-N
Synonyms
352645-14-8
2(((2TERTBUTYL13DIOXO23DIHYDRO1HISOINDOL5YL)CARBONYL)AMINO)BENZOICACID
2((2TERTBUTYL13DIOXOISOINDOLE5CARBONYL)AMINO)BENZOICACID
352645148
CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O
InChI=1SC20H18N2O5c120(23)2217(24)129811(1014(12)18(22)25)16(23)2115754613(15)19(26)27h410H13H3(H2123)(H2627)
MFCD01974150
O=C(c1ccc2c(c1)C(=O)N(C2=O)C(C)(C)C)Nc1ccccc1C(=O)O
STK033516
ZINC000001170904
ZINC1170904

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Available files

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