Vitas-M small molecule compound
(5E)-1-(3-methoxyphenyl)-5-(morpholin-4-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL367411
SMILES COc1cccc(c1)N1C(=S)NC(=O)/C(=C\N2CCOCC2)/C1=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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c1-22-12-4-2-3-11(9-12)19-15(21)13(14(20)17-16(19)24)10-18-5-7-23-8-6-18/h2-4,9-10H,5-8H2,1H3,(H,17,20,24)/b13-10+InChIKey
QJINCPNFVSZMKM-JLHYYAGUSA-NSynonyms
(5E)1(3methoxyphenyl)5(morpholin4ylmethylidene)2sulfanylidene13diazinane46dione
(5E)1(3methoxyphenyl)5(morpholin4ylmethylidene)2thioxodihydropyrimidine46(1H5H)dione
COC1=CC=CC(=C1)N2C(=O)C(=CN3CCOCC3)C(=O)NC2=S
COc1cccc(c1)N1C(=S)NC(=O)C(=CN2CCOCC2)C1=O
InChI=1SC16H17N3O4Sc1221242311(912)1915(21)13(14(20)1716(19)24)101857238618h24910H58H21H3(H172024)b1310+
MFCD03083484
ZINC000105964450
ZINC105964450
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