Vitas-M small molecule compound
(5Z)-5-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192567
SMILES CCOc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)OC)cc(c1O)I
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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 C20H17IN2O5S MW 524.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17IN2O5S/c1-3-28-16-10-11(9-15(21)17(16)24)8-14-18(25)22-20(29)23(19(14)26)12-4-6-13(27-2)7-5-12/h4-10,24H,3H2,1-2H3,(H,22,25,29)/b14-8-InChIKey
VLVWPHRILRJZTF-ZSOIEALJSA-NSynonyms
(5Z)5((3ETHOXY4HYDROXY5IODOPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3ETHOXY4HYDROXY5IODOBENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC)I)O
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)OC)cc(c1O)I
InChI=1SC20H17IN2O5Sc1328161011(915(21)17(16)24)81418(25)2220(29)23(19(14)26)124613(272)7512h41024H3H212H3(H222529)b148
MFCD02623717
ZINC000097960883
ZINC97960883
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