Vitas-M small molecule compound

ethyl {[(E)-amino(1,3-benzoxazol-2-ylamino)methylidene]amino}(oxo)acetate

Catalog ID
STK508674
SMILES CCOC(=O)C(=O)/N=C(/Nc1nc2c(o1)cccc2)\N

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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 C12H12N4O4 MW 276.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O4/c1-2-19-10(18)9(17)15-11(13)16-12-14-7-5-3-4-6-8(7)20-12/h3-6H,2H2,1H3,(H3,13,14,15,16,17)
InChIKey
PFINUVBJLBKJNH-UHFFFAOYSA-N
Synonyms
371222-50-3
(E)ethyl2((amino(benzo(d)oxazol2ylamino)methylene)amino)2oxoacetate
371222503
CCOC(=O)C(=O)N=C(Nc1nc2c(o1)cccc2)N
CCOC(=O)C(=O)NC(=NC1=NC2=CC=CC=C2O1)N
ethyl(((E)amino(13benzoxazol2ylamino)methylidene)amino)(oxo)acetate
ETHYL(N(13BENZOXAZOL2YL)CARBAMIMIDAMIDO)(OXO)ACETATE
ethyl2(((E)N(13benzoxazol2yl)carbamimidoyl)amino)2oxoacetate
ETHYL2(((Z)N(13BENZOXAZOL2YL)CARBAMIMIDOYL)AMINO)2OXOACETATE
ETHYL2((N(13BENZOXAZOL2YL)CARBAMIMIDOYL)AMINO)2OXOACETATE
InChI=1SC12H12N4O4c121910(18)9(17)1511(13)161214753468(7)2012h36H2H21H3(H31314151617)
MFCD01796081
ZINC000005790863
ZINC5790863

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Available files

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