Vitas-M small molecule compound
ethyl 4-{[(2-chloro-4-nitrophenyl)carbamothioyl]amino}-4-oxobutanoate
Catalog ID
STL065337
SMILES CCOC(=O)CCC(=O)NC(=S)Nc1ccc(cc1Cl)[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 C13H14ClN3O5S MW 359.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN3O5S/c1-2-22-12(19)6-5-11(18)16-13(23)15-10-4-3-8(17(20)21)7-9(10)14/h3-4,7H,2,5-6H2,1H3,(H2,15,16,18,23)InChIKey
XDLGAYDTMIOJOD-UHFFFAOYSA-NSynonyms
CCOC(=O)CCC(=O)NC(=S)NC1=C(C=C(C=C1)(N+)(=O)(O))Cl
CCOC(=O)CCC(=O)NC(=S)Nc1ccc(cc1Cl)(N+)(=O)(O)
ethyl4(((2chloro4nitrophenyl)carbamothioyl)amino)4oxobutanoate
ETHYL4((2CHLORO4NITROPHENYL)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
InChI=1SC13H14ClN3O5Sc122212(19)6511(18)1613(23)1510438(17(20)21)79(10)14h347H256H21H3(H215161823)
MFCD07098127
ZINC000012137280
ZINC12137280
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