Vitas-M small molecule compound

5-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione

Catalog ID
STL346546
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)C2C1C(=NO2)c1ccccc1Cl

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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 C18H11ClN2O5 MW 370.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11ClN2O5/c19-11-4-2-1-3-10(11)15-14-16(26-20-15)18(23)21(17(14)22)9-5-6-12-13(7-9)25-8-24-12/h1-7,14,16H,8H2
InChIKey
KXJMSGDMBNHJMB-UHFFFAOYSA-N
Synonyms

(3aR6aS)5(benzo(d)(13)dioxol5yl)3(2chlorophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
5(13BENZODIOXOL5YL)3(2CHLOROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
5(13benzodioxol5yl)3(2chlorophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
5(13BENZODIOXOL5YL)3(2CHLOROPHENYL)3AHPYRROLO(34D)ISOXAZOLE46(5H6AH)DIONE
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)ON=C4C5=CC=CC=C5Cl
InChI=1SC18H11ClN2O5c1911421310(11)151416(262015)18(23)21(17(14)22)9561213(79)2582412h171416H8H2
MFCD28032212
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@H)1C(=NO2)c1ccccc1Cl
ZINC000101178232
ZINC000101361101

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Available files

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