Vitas-M small molecule compound
5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK030492
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1O)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 C12H9ClN2O4S MW 312.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClN2O4S/c1-19-8-4-5(3-7(13)9(8)16)2-6-10(17)14-12(20)15-11(6)18/h2-4,16H,1H3,(H2,14,15,17,18,20)InChIKey
AYKIVTJQKWWPIS-UHFFFAOYSA-NSynonyms
353473-13-9353473139
5((3CHLORO4HYDROXY5METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3CHLORO4HYDROXY5METHOXYBENZYLIDENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
5(3CHLORO4HYDROXY5METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)O
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1O)Cl
InChI=1SC12H9ClN2O4Sc119845(37(13)9(8)16)2610(17)1412(20)1511(6)18h2416H1H3(H21415171820)
MFCD01363506
STK030492
ZINC000000483623
ZINC00483623
ZINC483623
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