Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)benzylidene]-1-(3,4-dichlorophenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK675050
SMILES S=C1N(c2ccccc2)C(=O)/C(=C\c2ccc(cc2)OCc2ccccc2)/C(=O)N1c1ccc(c(c1)Cl)Cl
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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 C30H20Cl2N2O3S MW 559.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H20Cl2N2O3S/c31-26-16-13-23(18-27(26)32)34-29(36)25(28(35)33(30(34)38)22-9-5-2-6-10-22)17-20-11-14-24(15-12-20)37-19-21-7-3-1-4-8-21/h1-18H,19H2/b25-17+InChIKey
WBYUPBFSNZKJPP-KOEQRZSOSA-NSynonyms
(5E)1(34DICHLOROPHENYL)3PHENYL5((4PHENYLMETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4(benzyloxy)benzylidene)1(34dichlorophenyl)3phenyl2thioxodihydropyrimidine46(1H5H)dione
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
InChI=1SC30H20Cl2N2O3Sc3126161323(1827(26)32)3429(36)25(28(35)33(30(34)38)2295261022)1720111424(151220)3719217314821h118H19H2b2517+
MFCD01572449
S=C1N(c2ccccc2)C(=O)C(=Cc2ccc(cc2)OCc2ccccc2)C(=O)N1c1ccc(c(c1)Cl)Cl
ZINC000003668439
ZINC3668439
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