Vitas-M small molecule compound
2-tert-butyl-4-methylphenyl 3-nitrobenzoate
Catalog ID
STK444888
SMILES Cc1ccc(c(c1)C(C)(C)C)OC(=O)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 C18H19NO4 MW 313.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO4/c1-12-8-9-16(15(10-12)18(2,3)4)23-17(20)13-6-5-7-14(11-13)19(21)22/h5-11H,1-4H3InChIKey
UNRCHVDLUCDXLX-UHFFFAOYSA-NSynonyms
(2TERTBUTYL4METHYLPHENYL)3NITROBENZOATE
2(TERTBUTYL)4METHYLPHENYL3NITROBENZOATE
2tertbutyl4methylphenyl3nitrobenzoate
CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C(C)(C)C
Cc1ccc(c(c1)C(C)(C)C)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H19NO4c1128916(15(1012)18(23)4)2317(20)1365714(1113)19(21)22h511H14H3
MFCD01115339
ZINC000000325111
ZINC00325111
ZINC325111
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