Vitas-M small molecule compound
methyl 3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}-5-nitrobenzoate
Catalog ID
STK158595
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)c1cccc(c1C)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 C21H23N3O5 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5/c1-14-5-4-6-19(15(14)2)22-7-9-23(10-8-22)20(25)16-11-17(21(26)29-3)13-18(12-16)24(27)28/h4-6,11-13H,7-10H2,1-3H3InChIKey
XDUJOGYGXAOYKO-UHFFFAOYSA-NSynonyms
349440-02-4349440024
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C(=O)OC)C
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)c1cccc(c1C)C
InChI=1SC21H23N3O5c11454619(15(14)2)227923(10822)20(25)161117(21(26)293)1318(1216)24(27)28h461113H710H213H3
METHYL3((4(23DIMETHYLPHENYL)1PIPERAZINYL)CARBONYL)5NITROBENZOATE
METHYL3((4(23DIMETHYLPHENYL)PIPERAZIN1YL)CARBONYL)5NITROBENZOATE
METHYL3((4(23DIMETHYLPHENYL)PIPERAZINYL)CARBONYL)5NITROBENZOATE
METHYL3(4(23DIMETHYLPHENYL)PIPERAZINE1CARBONYL)5NITROBENZOATE
MFCD02862232
ZINC000001180850
ZINC01180850
ZINC1180850
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