Vitas-M small molecule compound
4-chloro-3-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK109239
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cc(ccc1Cl)C(=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 C17H14ClN3O6S MW 423.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O6S/c1-2-27-14-6-4-9(8-13(14)21(25)26)15(22)20-17(28)19-12-7-10(16(23)24)3-5-11(12)18/h3-8H,2H2,1H3,(H,23,24)(H2,19,20,22,28)InChIKey
ASYDURBGMMFOPS-UHFFFAOYSA-NSynonyms
535956-92-44CHLORO3((((4ETHOXY3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)BENZOICACID
4CHLORO3((((4ETHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4CHLORO3((4ETHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
535956924
BENZOICACID4CHLORO3((((4ETHOXY3NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cc(ccc1Cl)C(=O)O
InChI=1SC17H14ClN3O6Sc122714649(813(14)21(25)26)15(22)2017(28)1912710(16(23)24)3511(12)18h38H2H21H3(H2324)(H219202228)
MFCD03572410
ZINC000002827863
ZINC2827863
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