Vitas-M small molecule compound
(2E)-N-[(E)-amino(1,3-benzoxazol-2-ylamino)methylidene]-3-(4-nitrophenyl)prop-2-enamide
Catalog ID
STK005305
SMILES O=C(/N=C(/Nc1nc2c(o1)cccc2)\N)/C=C/c1ccc(cc1)[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 C17H13N5O4 MW 351.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O4/c18-16(21-17-19-13-3-1-2-4-14(13)26-17)20-15(23)10-7-11-5-8-12(9-6-11)22(24)25/h1-10H,(H3,18,19,20,21,23)/b10-7+InChIKey
JZJSSEXELMZAAB-JXMROGBWSA-NSynonyms
351224-20-9(1E4E)1AMINO1(BENZOXAZOL2YLAMINO)5(4NITROPHENYL)2AZAPENTA14DIEN3ONE
(2E)N((E)AMINO(13BENZOXAZOL2YLAMINO)METHYLIDENE)3(4NITROPHENYL)PROP2ENAMIDE
(2ENE)N(amino(benzo(d)oxazol2ylamino)methylene)3(4nitrophenyl)acrylamide
(E)N((Z)N(13BENZOXAZOL2YL)CARBAMIMIDOYL)3(4NITROPHENYL)PROP2ENAMIDE
(E)N(N(13BENZOXAZOL2YL)CARBAMIMIDOYL)3(4NITROPHENYL)PROP2ENAMIDE
351224209
C1=CC=C2C(=C1)N=C(O2)N=C(N)NC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H13N5O4c1816(21171913312414(13)2617)2015(23)107115812(9611)22(24)25h110H(H31819202123)b107+
MFCD01796065
O=C(N=C(Nc1nc2c(o1)cccc2)N)C=Cc1ccc(cc1)(N+)(=O)(O)
STK005305
ZINC000004550221
ZINC04550221
ZINC4550221
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.