Vitas-M small molecule compound
ethyl 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL019614
SMILES CCOC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)c1ccc(cc1)[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 C26H22ClN3O7S MW 556.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O7S/c1-4-36-26(33)19-13(2)14(3)38-25(19)28-23(31)20-21(15-5-9-18(10-6-15)30(34)35)29(37-22(20)24(28)32)17-11-7-16(27)8-12-17/h5-12,20-22H,4H2,1-3H3InChIKey
NDDWDIUNRULTLD-UHFFFAOYSA-NSynonyms
1005107-64-11005107641
CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)(N+)(=O)(O)
CCOC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)c1ccc(cc1)(N+)(=O)(O)
ETHYL2(2(4CHLOROPHENYL)3(4NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
ethyl2(2(4chlorophenyl)3(4nitrophenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)45dimethylthiophene3carboxylate
ETHYL2(2(4CHLOROPHENYL)3(4NITROPHENYL)46DIOXOTETRAHYDRO2HPYRROLO(34D)ISOXAZOL5(3H)YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC26H22ClN3O7Sc143626(33)1913(2)14(3)3825(19)2823(31)2021(155918(10615)30(34)35)29(3722(20)24(28)32)1711716(27)81217h5122022H4H213H3
MFCD02970996
ZINC000102861400
ZINC000245026615
Check stock
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Check stock on Vitas-MAvailable files
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