Vitas-M small molecule compound
4-chloro-3-({[(4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
Catalog ID
STK109796
SMILES S=C(Nc1cc(ccc1Cl)C(=O)O)NC(=O)c1ccc(cc1)[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 C15H10ClN3O5S MW 379.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClN3O5S/c16-11-6-3-9(14(21)22)7-12(11)17-15(25)18-13(20)8-1-4-10(5-2-8)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25)InChIKey
UZHBSGQZSSBTLR-UHFFFAOYSA-NSynonyms
531516-05-94CHLORO3((((4NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)BENZOICACID
4CHLORO3((((4NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4CHLORO3((4NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
531516059
BENZOICACID4CHLORO3((((4NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)(N+)(=O)(O)
InChI=1SC15H10ClN3O5Sc1611639(14(21)22)712(11)1715(25)1813(20)81410(528)19(23)24h17H(H2122)(H217182025)
MFCD03565542
S=C(Nc1cc(ccc1Cl)C(=O)O)NC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000002829124
ZINC2829124
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