Vitas-M small molecule compound

5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

Catalog ID
STL019617
SMILES CCCCN1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)c1cccc(c1)[N+](=O)[O-]

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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 C21H20ClN3O5 MW 429.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O5/c1-2-3-11-23-20(26)17-18(13-5-4-6-16(12-13)25(28)29)24(30-19(17)21(23)27)15-9-7-14(22)8-10-15/h4-10,12,17-19H,2-3,11H2,1H3
InChIKey
JPFAGBAZQUWDQJ-UHFFFAOYSA-N
Synonyms
1005262-61-2
1005262612
5BUTYL2(4CHLOROPHENYL)3(3NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
5butyl2(4chlorophenyl)3(3nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
5BUTYL2(4CHLOROPHENYL)3(3NITROPHENYL)DIHYDRO2HPYRROLO(34D)ISOXAZOLE46(5H6AH)DIONE
CCCCN1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)c1cccc(c1)(N+)(=O)(O)
CCCCN1C(=O)C2C(N(OC2C1=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H20ClN3O5c123112320(26)1718(1354616(1213)25(28)29)24(3019(17)21(23)27)159714(22)81015h410121719H2311H21H3
MFCD02971028
ZINC000101688500
ZINC000238900565

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Available files

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