Vitas-M small molecule compound
2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-5-nitrobenzoic acid
Catalog ID
STL134879
SMILES O=C(N1CCN(CC1)c1ccc(cc1C(=O)O)[N+](=O)[O-])OC(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 C16H21N3O6 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O6/c1-16(2,3)25-15(22)18-8-6-17(7-9-18)13-5-4-11(19(23)24)10-12(13)14(20)21/h4-5,10H,6-9H2,1-3H3,(H,20,21)InChIKey
BSYOHJMSIFLHQB-UHFFFAOYSA-NSynonyms
1260656-10-71260656107
2(4((2methylpropan2yl)oxycarbonyl)piperazin1yl)5nitrobenzoicacid
2(4(tertbutoxycarbonyl)piperazin1yl)5nitrobenzoicacid
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)(N+)(=O)(O))C(=O)O
InChI=1SC16H21N3O6c116(23)2515(22)188617(7918)135411(19(23)24)1012(13)14(20)21h4510H69H213H3(H2021)
MFCD11040086
O=C(N1CCN(CC1)c1ccc(cc1C(=O)O)(N+)(=O)(O))OC(C)(C)C
ZINC000067172708
ZINC67172708
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