Vitas-M small molecule compound
5-(4-ethoxyphenyl)-2-(3-nitrophenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Catalog ID
STL048331
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1OC)OC)OC)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 C28H27N3O9 MW 549.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O9/c1-5-39-19-11-9-16(10-12-19)29-27(32)22-23(20-13-14-21(36-2)25(38-4)24(20)37-3)30(40-26(22)28(29)33)17-7-6-8-18(15-17)31(34)35/h6-15,22-23,26H,5H2,1-4H3InChIKey
PYWWPPKIHWRSDQ-UHFFFAOYSA-NSynonyms
1022860-88-31022860883
5(4ETHOXYPHENYL)2(3NITROPHENYL)3(234TRIMETHOXYPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
5(4ethoxyphenyl)2(3nitrophenyl)3(234trimethoxyphenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
5(4ethoxyphenyl)2(3nitrophenyl)3(234trimethoxyphenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
CCOC1=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
CCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1OC)OC)OC)c1cccc(c1)(N+)(=O)(O)
InChI=1SC28H27N3O9c15391911916(101219)2927(32)2223(20131421(362)25(384)24(20)373)30(4026(22)28(29)33)1776818(1517)31(34)35h615222326H5H214H3
MFCD05688799
ZINC000102762630
ZINC000245246870
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.