Vitas-M small molecule compound
diethyl 3,3'-[(6-methyl-5-nitropyrimidine-2,4-diyl)diimino]bis(6-chlorobenzoate)
Catalog ID
STL431939
SMILES CCOC(=O)c1cc(ccc1Cl)Nc1nc(Nc2ccc(c(c2)C(=O)OCC)Cl)c(c(n1)C)[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 C23H21Cl2N5O6 MW 534.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21Cl2N5O6/c1-4-35-21(31)15-10-13(6-8-17(15)24)27-20-19(30(33)34)12(3)26-23(29-20)28-14-7-9-18(25)16(11-14)22(32)36-5-2/h6-11H,4-5H2,1-3H3,(H2,26,27,28,29)InChIKey
PEDTWMTXAQJKRV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)NC2=NC(=NC(=C2(N+)(=O)(O))C)NC3=CC(=C(C=C3)Cl)C(=O)OCC)Cl
CCOC(=O)c1cc(ccc1Cl)Nc1nc(Nc2ccc(c(c2)C(=O)OCC)Cl)c(c(n1)C)(N+)(=O)(O)
diethyl33((6methyl5nitropyrimidine24diyl)diimino)bis(6chlorobenzoate)
ETHYL2CHLORO5((2(4CHLORO3ETHOXYCARBONYLANILINO)6METHYL5NITROPYRIMIDIN4YL)AMINO)BENZOATE
InChI=1SC23H21Cl2N5O6c143521(31)151013(6817(15)24)272019(30(33)34)12(3)2623(2920)28147918(25)16(1114)22(32)3652h611H45H213H3(H226272829)
MFCD01784752
ZINC000100165174
ZINC100165174
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