Vitas-M small molecule compound
(3aR,6aS)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK592121
SMILES Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
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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 C19H13ClN2O5 MW 384.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O5/c20-11-3-1-10(2-4-11)16-15-17(27-21-16)19(24)22(18(15)23)12-5-6-13-14(9-12)26-8-7-25-13/h1-6,9,15,17H,7-8H2/t15-,17+/m1/s1InChIKey
CYHBHOKHDNUSQT-WBVHZDCISA-NSynonyms
1212368-23-4(3aR6aS)3(4chlorophenyl)5(23dihydro14benzodioxin6yl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)3(4chlorophenyl)5(23dihydro14benzodioxin6yl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(4chlorophenyl)5(23dihydrobenzo(b)(14)dioxin6yl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212368234
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(C3=O)ON=C4C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2
InChI=1SC19H13ClN2O5c20113110(2411)161517(272116)19(24)22(18(15)23)12561314(912)26872513h1691517H78H2t1517+m1s1
MFCD18245931
ZINC000101268131
ZINC101268131
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