Vitas-M small molecule compound
butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate
Catalog ID
STK219832
SMILES CCCCOC(=O)c1cc(ccc1Cl)NC(=S)NC(=O)/C=C/c1ccccc1
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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 C21H21ClN2O3S MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3S/c1-2-3-13-27-20(26)17-14-16(10-11-18(17)22)23-21(28)24-19(25)12-9-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3,(H2,23,24,25,28)/b12-9+InChIKey
QTTZVIMVHUNOBZ-FMIVXFBMSA-NSynonyms
BUTYL2CHLORO5((((2E)3PHENYLPROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOATE
BUTYL2CHLORO5(((E)3PHENYLPROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2)Cl
CCCCOC(=O)c1cc(ccc1Cl)NC(=S)NC(=O)C=Cc1ccccc1
InChI=1SC21H21ClN2O3Sc123132720(26)171416(101118(17)22)2321(28)2419(25)129157546815h41214H2313H21H3(H223242528)b129+
MFCD02628459
ZINC000002997591
ZINC02997591
ZINC2997591
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