Vitas-M small molecule compound
(5E)-6-hydroxy-2-sulfanyl-5-(2,3,4-trimethoxybenzylidene)pyrimidin-4(5H)-one
Catalog ID
STL044918
SMILES COc1ccc(c(c1OC)OC)/C=C/1\C(=NC(=NC1=O)S)O
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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 C14H14N2O5S MW 322.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O5S/c1-19-9-5-4-7(10(20-2)11(9)21-3)6-8-12(17)15-14(22)16-13(8)18/h4-6H,1-3H3,(H2,15,16,17,18,22)InChIKey
AANGNDDQNXIIRM-UHFFFAOYSA-NSynonyms
301351-66-6(5E)6hydroxy2sulfanyl5(234trimethoxybenzylidene)pyrimidin4(5H)one
2SULFANYLIDENE5((234TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE46DIONE
2THIOXO5((234TRIMETHOXYPHENYL)METHYLENE)13DIHYDROPYRIMIDINE46DIONE
2THIOXO5(234TRIMETHOXYBENZYLIDENE)DIHYDRO46(1H5H)PYRIMIDINEDIONE
2THIOXO5(234TRIMETHOXYBENZYLIDENE)DIHYDROPYRIMIDINE46DIONE
301351666
COC1=C(C(=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC)OC
COc1ccc(c(c1OC)OC)C=C1C(=NC(=NC1=O)S)O
InChI=1SC14H14N2O5Sc1199547(10(202)11(9)213)6812(17)1514(22)1613(8)18h46H13H3(H21516171822)
MFCD04075975
ZINC1264403
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