Vitas-M small molecule compound
(3aR,6aS)-5-(4-butylphenyl)-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL007724
SMILES CCCCc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)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 C21H18Cl2N2O3 MW 417.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N2O3/c1-2-3-4-12-5-8-14(9-6-12)25-20(26)17-18(24-28-19(17)21(25)27)15-10-7-13(22)11-16(15)23/h5-11,17,19H,2-4H2,1H3/t17-,19+/m1/s1InChIKey
VIVPJXUFFPSJCD-MJGOQNOKSA-NSynonyms
1212299-26-7(3aR6aS)5(4butylphenyl)3(24dichlorophenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(4butylphenyl)3(24dichlorophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(4butylphenyl)3(24dichlorophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212299267
CCCCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=C(C=C(C=C4)Cl)Cl
CCCCc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccc(cc1Cl)Cl
InChI=1SC21H18Cl2N2O3c1234125814(9612)2520(26)1718(242819(17)21(25)27)1510713(22)1116(15)23h5111719H24H21H3t1719+m1s1
MFCD18247194
ZINC000101278603
ZINC101278603
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