Vitas-M small molecule compound
(5Z)-5-[(2,7-diethoxynaphthalen-1-yl)methylidene]-1-(3,4-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK084396
SMILES CCOc1ccc2c(c1/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C)cc(cc2)OCC
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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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-5-32-20-11-8-18-9-12-24(33-6-2)22(21(18)14-20)15-23-25(30)28-27(34)29(26(23)31)19-10-7-16(3)17(4)13-19/h7-15H,5-6H2,1-4H3,(H,28,30,34)/b23-15-InChIKey
DQLLSIPMAIOTED-HAHDFKILSA-NSynonyms
(5Z)5((27DIETHOXYNAPHTHALEN1YL)METHYLIDENE)1(34DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((27DIETHOXYNAPHTHALEN1YL)METHYLIDENE)1(34DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC2=C(C=C1)C=CC(=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)C)C)OCC
CCOc1ccc2c(c1C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C)cc(cc2)OCC
InChI=1SC27H26N2O4Sc1532201181891224(3362)22(21(18)1420)152325(30)2827(34)29(26(23)31)1910716(3)17(4)1319h715H56H214H3(H283034)b2315
MFCD03226521
STK084396
ZINC000001407210
ZINC01407210
ZINC1407210
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