Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)cyclohexyl 3-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK268567
SMILES CC1CCC(C(C1)OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)CC(C(C2)Br)Br)C(C)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 C25H31Br2NO4 MW 569.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31Br2NO4/c1-13(2)17-8-7-14(3)9-22(17)32-25(31)15-5-4-6-16(10-15)28-23(29)18-11-20(26)21(27)12-19(18)24(28)30/h4-6,10,13-14,17-22H,7-9,11-12H2,1-3H3InChIKey
YLBUNEVLWJEHOD-UHFFFAOYSA-NSynonyms
(5methyl2propan2ylcyclohexyl)3(56dibromo13dioxo3a45677ahexahydroisoindol2yl)benzoate
2ISOPROPYL5METHYLCYCLOHEXYL3(56DIBROMO13DIOXOOCTAHYDRO2HISOINDOL2YL)BENZOATE
5methyl2(propan2yl)cyclohexyl3(56dibromo13dioxooctahydro2Hisoindol2yl)benzoate
CC1CCC(C(C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4CC(C(CC4C3=O)Br)Br)C(C)C
InChI=1SC25H31Br2NO4c113(2)178714(3)922(17)3225(31)1554616(1015)2823(29)181120(26)21(27)1219(18)24(28)30h461013141722H791112H213H3
MFCD01174516
ZINC000004174421
ZINC000239254590
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