Vitas-M small molecule compound
(5Z)-5-{3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzylidene}-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK014197
SMILES COc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)C
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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 C27H23N3O8 MW 517.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O8/c1-17-4-3-5-20(14-17)29-26(32)22(25(31)28-27(29)33)15-18-6-11-23(24(16-18)36-2)38-13-12-37-21-9-7-19(8-10-21)30(34)35/h3-11,14-16H,12-13H2,1-2H3,(H,28,31,33)/b22-15-InChIKey
VXRKURLJHHSQDB-JCMHNJIXSA-NSynonyms
(5Z)5((3METHOXY4(2(4NITROPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1(3METHYLPHENYL)13DIAZINANE246TRIONE
(5Z)5(3METHOXY4(2(4NITROPHENOXY)ETHOXY)BENZYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCCOC4=CC=C(C=C4)(N+)(=O)(O))OC)C(=O)NC2=O
COc1cc(ccc1OCCOc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
InChI=1SC27H23N3O8c11743520(1417)2926(32)22(25(31)2827(29)33)151861123(24(1618)362)38131237219719(81021)30(34)35h3111416H1213H212H3(H283133)b2215
MFCD01873581
STK014197
ZINC000013940066
ZINC13940066
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