Vitas-M small molecule compound
(2Z)-2-(1,3-benzoxazol-2-yl)-1-(4-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
Catalog ID
STK876707
SMILES Cc1ccc(cc1)C(=O)/C(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/c1nc2c(o1)cccc2
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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 C27H18N2O5 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N2O5/c1-17-9-11-18(12-10-17)26(30)22(27-28-23-7-2-3-8-25(23)34-27)16-21-13-14-24(33-21)19-5-4-6-20(15-19)29(31)32/h2-16H,1H3/b22-16+InChIKey
ZMWWBCCPKGEVFK-CJLVFECKSA-NSynonyms
(2Z)2(13benzoxazol2yl)1(4methylphenyl)3(5(3nitrophenyl)furan2yl)prop2en1one
(E)2(benzo(d)oxazol2yl)3(5(3nitrophenyl)furan2yl)1(ptolyl)prop2en1one
(Z)2(13benzoxazol2yl)1(4methylphenyl)3(5(3nitrophenyl)furan2yl)prop2en1one
CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C4=NC5=CC=CC=C5O4
Cc1ccc(cc1)C(=O)C(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))c1nc2c(o1)cccc2
InChI=1SC27H18N2O5c11791118(121017)26(30)22(272823723825(23)3427)1621131424(3321)1954620(1519)29(31)32h216H1H3b2216+
MFCD18170234
ZINC000032617760
ZINC32617760
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