Vitas-M small molecule compound
2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl 2-(4-butoxyphenyl)quinoline-4-carboxylate
Catalog ID
STK435191
SMILES CCCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)OCCN(c1ccc(c2c1non2)[N+](=O)[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 C29H27N5O6 MW 541.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O6/c1-3-4-16-38-20-11-9-19(10-12-20)24-18-22(21-7-5-6-8-23(21)30-24)29(35)39-17-15-33(2)25-13-14-26(34(36)37)28-27(25)31-40-32-28/h5-14,18H,3-4,15-17H2,1-2H3InChIKey
CMJKDMAHQQOJFT-UHFFFAOYSA-NSynonyms
2(METHYL(4NITRO213BENZOXADIAZOL7YL)AMINO)ETHYL2(4BUTOXYPHENYL)QUINOLINE4CARBOXYLATE
2(methyl(7nitro213benzoxadiazol4yl)amino)ethyl2(4butoxyphenyl)quinoline4carboxylate
2(METHYL(7NITROBENZO(23C)125OXADIAZOL4YL)AMINO)ETHYL2(4BUTOXYPHENYL)QUINOLINE4CARBOXYLATE
CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCN(C)C4=CC=C(C5=NON=C45)(N+)(=O)(O)
CCCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)OCCN(c1ccc(c2c1non2)(N+)(=O)(O))C
InChI=1SC29H27N5O6c13416382011919(101220)241822(21756823(21)3024)29(35)39171533(2)25131426(34(36)37)2827(25)31403228h51418H341517H212H3
MFCD03943096
ZINC000097946061
ZINC97946061
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