Vitas-M small molecule compound
2-(5-chloro-2-{[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy}phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK258273
SMILES Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1CC2C=C1)OC(C(=O)c1ccc(cc1)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 C25H22ClNO4 MW 435.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClNO4/c1-13-3-5-15(6-4-13)23(28)14(2)31-20-10-9-18(26)12-19(20)27-24(29)21-16-7-8-17(11-16)22(21)25(27)30/h3-10,12,14,16-17,21-22H,11H2,1-2H3InChIKey
YUGKDERICMXFTB-UHFFFAOYSA-NSynonyms
2(5chloro2((1(4methylphenyl)1oxopropan2yl)oxy)phenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=CC=C(C=C1)C(=O)C(C)OC2=C(C=C(C=C2)Cl)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC25H22ClNO4c1133515(6413)23(28)14(2)312010918(26)1219(20)2724(29)21167817(1116)22(21)25(27)30h310121416172122H11H212H3
MFCD06194498
ZINC000100394748
ZINC000239433944
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