Vitas-M small molecule compound

4-[2-(3-nitrophenyl)-4,6-dioxo-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate

Catalog ID
STL052304
SMILES CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(=O)c1ccccc1)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 C33H27N3O8 MW 593.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O8/c1-2-19-42-26-17-13-23(14-18-26)34-31(37)28-29(21-11-15-27(16-12-21)43-33(39)22-7-4-3-5-8-22)35(44-30(28)32(34)38)24-9-6-10-25(20-24)36(40)41/h3-18,20,28-30H,2,19H2,1H3
InChIKey
MGXMYFRTHHVETP-UHFFFAOYSA-N
Synonyms

(4(2(3NITROPHENYL)46DIOXO5(4PROPOXYPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
4(2(3nitrophenyl)46dioxo5(4propoxyphenyl)hexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
4(2(3nitrophenyl)46dioxo5(4propoxyphenyl)hexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
CCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC33H27N3O8c12194226171323(141826)3431(37)2829(21111527(161221)4333(39)227435822)35(4430(28)32(34)38)24961025(2024)36(40)41h318202830H219H21H3
MFCD05727307
ZINC000001773067
ZINC000245246468

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Available files

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