Vitas-M small molecule compound
4-{3-[5-(4-nitrophenyl)thiophen-2-yl]-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}benzoic acid
Catalog ID
STK551494
SMILES OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(s1)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 C28H19N3O7S MW 541.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O7S/c32-26-23-24(22-15-14-21(39-22)16-6-12-20(13-7-16)31(36)37)30(19-4-2-1-3-5-19)38-25(23)27(33)29(26)18-10-8-17(9-11-18)28(34)35/h1-15,23-25H,(H,34,35)InChIKey
ZPYUWLTTYHWHBP-UHFFFAOYSA-NSynonyms
1024564-85-91024564859
4(3(5(4NITROPHENYL)THIOPHEN2YL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)BENZOICACID
4(3(5(4nitrophenyl)thiophen2yl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoicacid
4(3(5(4nitrophenyl)thiophen2yl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)benzoicacid
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC=C(S5)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC28H19N3O7Sc32262324(22151421(3922)1661220(13716)31(36)37)30(194213519)3825(23)27(33)29(26)1810817(91118)28(34)35h1152325H(H3435)
MFCD03682494
OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(s1)c1ccc(cc1)(N+)(=O)(O)
ZINC000097952129
ZINC000229988146
Check stock
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Check stock on Vitas-MAvailable files
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