Vitas-M small molecule compound
(5Z)-1-(4-chlorophenyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK616891
SMILES COc1cc(/C=C\2/C(=O)N=C(N(C2=O)c2ccc(cc2)Cl)S)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 C18H12ClIN2O4S MW 514.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClIN2O4S/c1-26-14-8-9(7-13(20)15(14)23)6-12-16(24)21-18(27)22(17(12)25)11-4-2-10(19)3-5-11/h2-8,23H,1H3,(H,21,24,27)/b12-6-InChIKey
RMEGPUVYXQNHTJ-SDQBBNPISA-NSynonyms
347395-95-3(5Z)1(4chlorophenyl)5((4hydroxy3iodo5methoxyphenyl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(4chlorophenyl)5(4hydroxy3iodo5methoxybenzylidene)2sulfanylpyrimidine46(1H5H)dione
347395953
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)I)O
COc1cc(C=C2C(=O)N=C(N(C2=O)c2ccc(cc2)Cl)S)cc(c1O)I
InChI=1SC18H12ClIN2O4Sc1261489(713(20)15(14)23)61216(24)2118(27)22(17(12)25)114210(19)3511h2823H1H3(H212427)b126
MFCD08736543
ZINC000097968489
ZINC97968489
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