Vitas-M small molecule compound
N-[(4-butylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
Catalog ID
STK047134
SMILES CCCCc1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OCC
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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 C20H23N3O4S MW 401.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O4S/c1-3-5-6-14-7-10-16(11-8-14)21-20(28)22-19(24)15-9-12-18(27-4-2)17(13-15)23(25)26/h7-13H,3-6H2,1-2H3,(H2,21,22,24,28)InChIKey
URJMQULIUNIVJG-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)(N+)(=O)(O)
CCCCc1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OCC
InChI=1SC20H23N3O4Sc13561471016(11814)2120(28)2219(24)1591218(2742)17(1315)23(25)26h713H36H212H3(H221222428)
MFCD02626945
N((4BUTYLPHENYL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
STK047134
ZINC000002984991
ZINC02984991
ZINC2984991
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