Vitas-M small molecule compound
methyl 4-(4-acetylpiperazin-1-yl)-3-{[(2-chloro-5-nitrophenyl)carbonyl]amino}benzoate
Catalog ID
STK179984
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-])N1CCN(CC1)C(=O)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 C21H21ClN4O6 MW 460.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O6/c1-13(27)24-7-9-25(10-8-24)19-6-3-14(21(29)32-2)11-18(19)23-20(28)16-12-15(26(30)31)4-5-17(16)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,28)InChIKey
ZENZSMGPQZFESF-UHFFFAOYSA-NSynonyms
CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl
COC(=O)c1ccc(c(c1)NC(=O)c1cc(ccc1Cl)(N+)(=O)(O))N1CCN(CC1)C(=O)C
InChI=1SC21H21ClN4O6c113(27)247925(10824)196314(21(29)322)1118(19)2320(28)161215(26(30)31)4517(16)22h361112H710H212H3(H2328)
METHYL4(4ACETYLPIPERAZIN1YL)3(((2CHLORO5NITROPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4acetylpiperazin1yl)3((2chloro5nitrobenzoyl)amino)benzoate
MFCD06664224
ZINC000009892716
ZINC09892716
ZINC9892716
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