Vitas-M small molecule compound

4-chloro-3-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid

Catalog ID
STK104351
SMILES S=C(NC(=O)c1ccccc1[N+](=O)[O-])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 C15H10ClN3O5S MW 379.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClN3O5S/c16-10-6-5-8(14(21)22)7-11(10)17-15(25)18-13(20)9-3-1-2-4-12(9)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25)
InChIKey
LLUGKYFXGKDQNS-UHFFFAOYSA-N
Synonyms
532418-17-0
4CHLORO3((((2NITROBENZOYL)AMINO)CARBONOTHIOYL)AMINO)BENZOICACID
4CHLORO3((((2NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)BENZOICACID
4CHLORO3((((2NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4CHLORO3((2NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
532418170
BENZOICACID4CHLORO3((((2NITROBENZOYL)AMINO)THIOXOMETHYL)AMINO)
C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)(N+)(=O)(O)
InChI=1SC15H10ClN3O5Sc1610658(14(21)22)711(10)1715(25)1813(20)9312412(9)19(23)24h17H(H2122)(H217182025)
MFCD03568100
S=C(NC(=O)c1ccccc1(N+)(=O)(O))Nc1cc(ccc1Cl)C(=O)O
ZINC000002828852
ZINC2828852

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Available files

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