Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)phenyl 4-nitrobenzoate
Catalog ID
STK079960
SMILES Cc1ccc(c(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C(C)C
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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 C17H17NO4 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4/c1-11(2)15-9-4-12(3)10-16(15)22-17(19)13-5-7-14(8-6-13)18(20)21/h4-11H,1-3H3InChIKey
DXRMZNXPPSUUQA-UHFFFAOYSA-NSynonyms
(5METHYL2PROPAN2YLPHENYL)4NITROBENZOATE
5METHYL2(METHYLETHYL)PHENYL4NITROBENZOATE
5METHYL2(PROPAN2YL)PHENYL4NITROBENZOATE
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
Cc1ccc(c(c1)OC(=O)c1ccc(cc1)(N+)(=O)(O))C(C)C
InChI=1SC17H17NO4c111(2)159412(3)1016(15)2217(19)135714(8613)18(20)21h411H13H3
MFCD00541076
STK079960
ZINC000000045862
ZINC00045862
ZINC45862
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