Vitas-M small molecule compound
methyl 3-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-5-nitrobenzoate
Catalog ID
STK091772
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)c1cccc(c1)Cl
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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 C19H18ClN3O5 MW 403.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5/c1-28-19(25)14-9-13(10-17(11-14)23(26)27)18(24)22-7-5-21(6-8-22)16-4-2-3-15(20)12-16/h2-4,9-12H,5-8H2,1H3InChIKey
BTXAWRKEMFXORL-UHFFFAOYSA-NSynonyms
329931-88-63(4(3CHLOROPHENYL)PIPERAZINE1CARBONYL)5NITROBENZOICACIDMETHYLESTER
329931886
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)c1cccc(c1)Cl
InChI=1SC19H18ClN3O5c12819(25)14913(1017(1114)23(26)27)18(24)227521(6822)1642315(20)1216h24912H58H21H3
METHYL3((4(3CHLOROPHENYL)1PIPERAZINYL)CARBONYL)5NITROBENZOATE
METHYL3((4(3CHLOROPHENYL)PIPERAZIN1YL)CARBONYL)5NITROBENZOATE
METHYL3((4(3CHLOROPHENYL)PIPERAZINYL)CARBONYL)5NITROBENZOATE
METHYL3(4(3CHLOROPHENYL)PIPERAZINE1CARBONYL)5NITROBENZOATE
MFCD01196927
STK091772
ZINC000000678054
ZINC00678054
ZINC678054
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