Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 2-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl]quinoline-4-carboxylate
Catalog ID
STK258416
SMILES O=C1N(c2cccc(c2)c2nc3ccccc3c(c2)C(=O)OCC(=O)C(C)(C)C)C(=O)C2C1CC=CC2
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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 C30H28N2O5 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O5/c1-30(2,3)26(33)17-37-29(36)23-16-25(31-24-14-7-6-11-20(23)24)18-9-8-10-19(15-18)32-27(34)21-12-4-5-13-22(21)28(32)35/h4-11,14-16,21-22H,12-13,17H2,1-3H3InChIKey
WPTLQGWVCZKLSV-UHFFFAOYSA-NSynonyms
(33DIMETHYL2OXOBUTYL)2(3(13DIOXO3A477ATETRAHYDROISOINDOL2YL)PHENYL)QUINOLINE4CARBOXYLATE
33dimethyl2oxobutyl2(3(13dioxo133a477ahexahydro2Hisoindol2yl)phenyl)quinoline4carboxylate
33DIMETHYL2OXOBUTYL2(3(13DIOXO473A7ATETRAHYDROISOINDOL2YL)PHENYL)QUINOLINE4CARBOXYLATE
CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)N4C(=O)C5CC=CCC5C4=O
InChI=1SC30H28N2O5c130(23)26(33)173729(36)231625(312414761120(23)24)18981019(1518)3227(34)2112451322(21)28(32)35h41114162122H121317H213H3
MFCD03648893
ZINC000018243998
ZINC000102091005
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