Vitas-M small molecule compound

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

Catalog ID
STL053576
SMILES CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)[N+](=O)[O-])c1ccc(c(c1OC)OC)OC

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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 C30H31N3O9 MW 577.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O9/c1-5-6-16-41-21-12-10-18(11-13-21)31-29(34)24-25(22-14-15-23(38-2)27(40-4)26(22)39-3)32(42-28(24)30(31)35)19-8-7-9-20(17-19)33(36)37/h7-15,17,24-25,28H,5-6,16H2,1-4H3
InChIKey
XEPTUFMXUZSMFQ-UHFFFAOYSA-N
Synonyms

5(4BUTOXYPHENYL)2(3NITROPHENYL)3(234TRIMETHOXYPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
5(4butoxyphenyl)2(3nitrophenyl)3(234trimethoxyphenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
5(4butoxyphenyl)2(3nitrophenyl)3(234trimethoxyphenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
CCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=C(C(=C(C=C5)OC)OC)OC
CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)(N+)(=O)(O))c1ccc(c(c1OC)OC)OC
InChI=1SC30H31N3O9c156164121121018(111321)3129(34)2425(22141523(382)27(404)26(22)393)32(4228(24)30(31)35)1987920(1719)33(36)37h71517242528H5616H214H3
MFCD05733088
ZINC000106019525
ZINC000245247782

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Available files

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