Vitas-M small molecule compound

propyl 4-({[(4-methoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STK038190
SMILES CCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OC

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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 C19H19N3O6S MW 417.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O6S/c1-3-10-28-18(24)12-4-7-14(8-5-12)20-19(29)21-17(23)13-6-9-16(27-2)15(11-13)22(25)26/h4-9,11H,3,10H2,1-2H3,(H2,20,21,23,29)
InChIKey
NRKSSCZQWGIBFW-UHFFFAOYSA-N
Synonyms

4(3(4METHOXY3NITROBENZOYL)THIOUREIDO)BENZOICACIDPROPYLESTER
CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O)
CCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OC
InChI=1SC19H19N3O6Sc13102818(24)124714(8512)2019(29)2117(23)136916(272)15(1113)22(25)26h4911H310H212H3(H220212329)
MFCD02578173
PROPYL4((((3NITRO4METHOXYBENZOYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
PROPYL4((((4METHOXY3NITROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)BENZOATE
PROPYL4((((4METHOXY3NITROPHENYL)CARBONYLAMINO)THIOXOMETHYL)AMINO)BENZOATE
PROPYL4((4METHOXY3NITROBENZOYL)CARBAMOTHIOYLAMINO)BENZOATE
STK038190
ZINC000002064403
ZINC02064403
ZINC2064403

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.