Vitas-M small molecule compound
(5Z)-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL484681
SMILES CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C26H21N3O6S MW 503.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O6S/c1-2-34-23-15-18(10-13-22(23)35-16-17-8-11-20(12-9-17)29(32)33)14-21-24(30)27-26(36)28(25(21)31)19-6-4-3-5-7-19/h3-15H,2,16H2,1H3,(H,27,30,36)/b21-14-InChIKey
ZOSZYAQXZWMUNP-STZFKDTASA-NSynonyms
(5Z)5((3ETHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3ethoxy4((4nitrobenzyl)oxy)benzylidene)1phenyl2thioxodihydropyrimidine46(1H5H)dione
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
InChI=1SC26H21N3O6Sc1234231518(101322(23)35161781120(12917)29(32)33)142124(30)2726(36)28(25(21)31)196435719h315H216H21H3(H273036)b2114
MFCD02064370
ZINC000015219888
ZINC15219888
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