Vitas-M small molecule compound
(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(3,5-dimethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187997
SMILES Clc1ccc(cc1)Sc1oc(cc1Br)/C=C\1/C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
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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 C23H16BrClN2O3S2 MW 547.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrClN2O3S2/c1-12-7-13(2)9-15(8-12)27-21(29)18(20(28)26-23(27)31)10-16-11-19(24)22(30-16)32-17-5-3-14(25)4-6-17/h3-11H,1-2H3,(H,26,28,31)/b18-10-InChIKey
IBCKZZFLAPKVQK-ZDLGFXPLSA-NSynonyms
(5Z)5((4BROMO5((4CHLOROPHENYL)SULFANYL)FURAN2YL)METHYLIDENE)1(35DIMETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((4BROMO5(4CHLOROPHENYL)SULFANYLFURAN2YL)METHYLIDENE)1(35DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C(=O)NC2=S)C
Clc1ccc(cc1)Sc1oc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC23H16BrClN2O3S2c112713(2)915(812)2721(29)18(20(28)2623(27)31)10161119(24)22(3016)32175314(25)4617h311H12H3(H262831)b1810
MFCD03226667
ZINC000097960906
ZINC97960906
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