Vitas-M small molecule compound
(2E)-3-(4-nitrophenyl)prop-2-enoic acid - (2E)-N-[3-(morpholin-4-yl)propyl]-3-(4-nitrophenyl)prop-2-enamide (1:1)
Catalog ID
STK397346
SMILES O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NCCCN1CCOCC1.OC(=O)/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 C25H28N4O8 MW 512.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O4.C9H7NO4/c20-16(17-8-1-9-18-10-12-23-13-11-18)7-4-14-2-5-15(6-3-14)19(21)22;11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h2-7H,1,8-13H2,(H,17,20);1-6H,(H,11,12)/b7-4+;6-3+InChIKey
QVPUCTMJMHITQC-VULVFYAQSA-NSynonyms
(2E)3(4nitrophenyl)prop2enoicacid(2E)N(3(morpholin4yl)propyl)3(4nitrophenyl)prop2enamide(11)
(E)N(3morpholin4ylpropyl)3(4nitrophenyl)prop2enamide(E)3(4nitrophenyl)prop2enoicacid
C1COCCN1CCCNC(=O)C=CC2=CC=C(C=C2)(N+)(=O)(O)C1=CC(=CC=C1C=CC(=O)O)(N+)(=O)(O)
InChI=1SC16H21N3O4C9H7NO4c2016(1781918101223131118)74142515(6314)19(21)22119(12)637148(527)10(13)14h27H1813H2(H1720)16H(H1112)b74+63+
MFCD00779769
O=C(C=Cc1ccc(cc1)(N+)(=O)(O))NCCCN1CCOCC1OC(=O)C=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000020457311
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