Vitas-M small molecule compound
ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Catalog ID
STL020315
SMILES CCOC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)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 C26H23N3O7S MW 521.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O7S/c1-4-35-26(32)19-14(2)15(3)37-25(19)27-23(30)20-21(16-10-12-18(13-11-16)29(33)34)28(36-22(20)24(27)31)17-8-6-5-7-9-17/h5-13,20-22H,4H2,1-3H3InChIKey
NILNZZSEIZWHAH-UHFFFAOYSA-NSynonyms
1005108-98-41005108984
CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
CCOC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ETHYL45DIMETHYL2(3(4NITROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)THIOPHENE3CARBOXYLATE
ethyl45dimethyl2(3(4nitrophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)thiophene3carboxylate
ETHYL45DIMETHYL2(3(4NITROPHENYL)46DIOXO2PHENYLTETRAHYDRO2HPYRROLO(34D)ISOXAZOL5(3H)YL)THIOPHENE3CARBOXYLATE
InChI=1SC26H23N3O7Sc143526(32)1914(2)15(3)3725(19)2723(30)2021(16101218(131116)29(33)34)28(3622(20)24(27)31)178657917h5132022H4H213H3
MFCD02970742
ZINC000102862258
ZINC000245026729
Check stock
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Check stock on Vitas-MAvailable files
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