Vitas-M small molecule compound
5-{[(biphenyl-4-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoic acid
Catalog ID
STK069075
SMILES S=C(NC(=O)c1ccc(cc1)c1ccccc1)Nc1ccc(c(c1)C(=O)O)Cl
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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 C21H15ClN2O3S MW 410.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O3S/c22-18-11-10-16(12-17(18)20(26)27)23-21(28)24-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,26,27)(H2,23,24,25,28)InChIKey
NSYZUJDKRCLCAW-UHFFFAOYSA-NSynonyms
2CHLORO5((4PHENYLBENZOYL)CARBAMOTHIOYLAMINO)BENZOICACID
5(((BIPHENYL4YLCARBONYL)CARBAMOTHIOYL)AMINO)2CHLOROBENZOICACID
BENZOICACID5(((((11BIPHENYL)4YLCARBONYL)AMINO)THIOXOMETHYL)AMINO)2CHLORO
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC21H15ClN2O3Sc2218111016(1217(18)20(26)27)2321(28)2419(25)158614(7915)134213513h112H(H2627)(H223242528)
MFCD03453798
S=C(NC(=O)c1ccc(cc1)c1ccccc1)Nc1ccc(c(c1)C(=O)O)Cl
STK069075
ZINC000004845226
ZINC4845226
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