Vitas-M small molecule compound

(3aR,6aS)-3-(2-chlorophenyl)-5-(2-methyl-3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione

Catalog ID
STL050904
SMILES O=C1[C@H]2[C@@H](C(=O)N1c1cccc(c1C)[N+](=O)[O-])ON=C2c1ccccc1Cl

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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 C18H12ClN3O5 MW 385.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O5/c1-9-12(7-4-8-13(9)22(25)26)21-17(23)14-15(20-27-16(14)18(21)24)10-5-2-3-6-11(10)19/h2-8,14,16H,1H3/t14-,16+/m1/s1
InChIKey
RAPOUFQYDHXOJB-ZBFHGGJFSA-N
Synonyms
1212232-12-6
(3AR6AS)3(2CHLOROPHENYL)5(2METHYL3NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)3(2chlorophenyl)5(2methyl3nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(2chlorophenyl)5(2methyl3nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212232126
CC1=C(C=CC=C1(N+)(=O)(O))N2C(=O)C3C(C2=O)ON=C3C4=CC=CC=C4Cl
InChI=1SC18H12ClN3O5c1912(74813(9)22(25)26)2117(23)1415(202716(14)18(21)24)10523611(10)19h281416H1H3t1416+m1s1
MFCD18249358
O=C1(C@H)2(C@@H)(C(=O)N1c1cccc(c1C)(N+)(=O)(O))ON=C2c1ccccc1Cl
ZINC000101213090
ZINC101213090

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Available files

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