Vitas-M small molecule compound
(3aR,6aS)-5-(5-chloro-2-methylphenyl)-3-(2,3-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK594981
SMILES COc1c(OC)cccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(Cl)ccc1C
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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 C20H17ClN2O5 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5/c1-10-7-8-11(21)9-13(10)23-19(24)15-16(22-28-18(15)20(23)25)12-5-4-6-14(26-2)17(12)27-3/h4-9,15,18H,1-3H3/t15-,18+/m1/s1InChIKey
RTAWDFDIKDDISE-QAPCUYQASA-NSynonyms
1212182-93-8(3AR6AS)5(5CHLORO2METHYLPHENYL)3(23DIMETHOXYPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)5(5chloro2methylphenyl)3(23dimethoxyphenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(5chloro2methylphenyl)3(23dimethoxyphenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212182938
CC1=C(C=C(C=C1)Cl)N2C(=O)C3C(C2=O)ON=C3C4=C(C(=CC=C4)OC)OC
COc1c(OC)cccc1C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1cc(Cl)ccc1C
InChI=1SC20H17ClN2O5c1107811(21)913(10)2319(24)1516(222818(15)20(23)25)1254614(262)17(12)273h491518H13H3t1518+m1s1
MFCD18246002
ZINC000101292040
ZINC101292040
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