Vitas-M small molecule compound
propyl 4-({[(2E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Catalog ID
STK148473
SMILES CCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1cccc(c1)[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 C20H19N3O5S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S/c1-2-12-28-19(25)15-7-9-16(10-8-15)21-20(29)22-18(24)11-6-14-4-3-5-17(13-14)23(26)27/h3-11,13H,2,12H2,1H3,(H2,21,22,24,29)/b11-6+InChIKey
ZHBDNIHNLRUFGH-IZZDOVSWSA-NSynonyms
CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)(N+)(=O)(O)
CCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H19N3O5Sc12122819(25)157916(10815)2120(29)2218(24)1161443517(1314)23(26)27h31113H212H21H3(H221222429)b116+
MFCD03138257
PROPYL4((((2E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOATE
PROPYL4(((E)3(3NITROPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOATE
ZINC000002856458
ZINC02856458
ZINC2856458
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