Vitas-M small molecule compound
4-chloro-3-{[(3-methylbutanoyl)carbamothioyl]amino}benzoic acid
Catalog ID
STK039810
SMILES CC(CC(=O)NC(=S)Nc1cc(ccc1Cl)C(=O)O)C
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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 C13H15ClN2O3S MW 314.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15ClN2O3S/c1-7(2)5-11(17)16-13(20)15-10-6-8(12(18)19)3-4-9(10)14/h3-4,6-7H,5H2,1-2H3,(H,18,19)(H2,15,16,17,20)InChIKey
UGSGQROMTBIHDB-UHFFFAOYSA-NSynonyms
536978-48-04CHLORO3(((3METHYLBUTANOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4chloro3(3(3methylbutanoyl)thioureido)benzoicacid
4CHLORO3(3(3METHYLBUTYRYL)THIOUREIDO)BENZOICACID
4CHLORO3(3METHYLBUTANOYLCARBAMOTHIOYLAMINO)BENZOICACID
536978480
BENZOICACID4CHLORO3((((3METHYL1OXOBUTYL)AMINO)THIOXOMETHYL)AMINO)
CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl
CC(CC(=O)NC(=S)Nc1cc(ccc1Cl)C(=O)O)C
InChI=1SC13H15ClN2O3Sc17(2)511(17)1613(20)151068(12(18)19)349(10)14h3467H5H212H3(H1819)(H215161720)
MFCD03573428
STK039810
ZINC000003247123
ZINC3247123
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