Vitas-M small molecule compound
(5E)-5-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189928
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(Cl)c(c(c2)OCC)O)/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 C16H15ClN2O4S MW 366.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN2O4S/c1-3-5-19-15(22)10(14(21)18-16(19)24)6-9-7-11(17)13(20)12(8-9)23-4-2/h3,6-8,20H,1,4-5H2,2H3,(H,18,21,24)/b10-6+InChIKey
JJFXYLSJFUTTLN-UXBLZVDNSA-NSynonyms
(5E)5((3CHLORO5ETHOXY4HYDROXYPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3CHLORO5ETHOXY4HYDROXYBENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(Cl)c(c(c2)OCC)O)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)Cl)O
InChI=1SC16H15ClN2O4Sc1351915(22)10(14(21)1816(19)24)69711(17)13(20)12(89)2342h36820H145H22H3(H182124)b106+
MFCD02193487
ZINC000001201235
ZINC01201235
ZINC1201235
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