Vitas-M small molecule compound
N-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-methyl-3-nitrobenzamide
Catalog ID
STK128576
SMILES OC(COc1ccc(cc1)C(C)(C)C)CNC(=O)c1cccc(c1C)[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 C21H26N2O5 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5/c1-14-18(6-5-7-19(14)23(26)27)20(25)22-12-16(24)13-28-17-10-8-15(9-11-17)21(2,3)4/h5-11,16,24H,12-13H2,1-4H3,(H,22,25)InChIKey
FPBYXRDTGBHNTN-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NCC(COC2=CC=C(C=C2)C(C)(C)C)O
InChI=1SC21H26N2O5c11418(65719(14)23(26)27)20(25)221216(24)13281710815(91117)21(23)4h5111624H1213H214H3(H2225)
MFCD08678378
N(3(4TERTBUTYLPHENOXY)2HYDROXYPROPYL)2METHYL3NITROBENZAMIDE
OC(COc1ccc(cc1)C(C)(C)C)CNC(=O)c1cccc(c1C)(N+)(=O)(O)
ZINC000004700495
ZINC000004700496
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