Vitas-M small molecule compound
(5Z)-5-({4-bromo-5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192748
SMILES Clc1ccc(cc1)Sc1oc(cc1Br)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
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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 C21H10BrCl3N2O3S2 MW 588.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H10BrCl3N2O3S2/c22-14-9-11(30-20(14)32-12-6-4-10(23)5-7-12)8-13-18(28)26-21(31)27(19(13)29)16-3-1-2-15(24)17(16)25/h1-9H,(H,26,28,31)/b13-8-InChIKey
NRRYJTQVCSJVKG-JYRVWZFOSA-NSynonyms
(5Z)5((4BROMO5((4CHLOROPHENYL)SULFANYL)FURAN2YL)METHYLIDENE)1(23DICHLOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((4BROMO5(4CHLOROPHENYL)SULFANYLFURAN2YL)METHYLIDENE)1(23DICHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC(=C(C(=C1)Cl)Cl)N2C(=O)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C(=O)NC2=S
Clc1ccc(cc1)Sc1oc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
InChI=1SC21H10BrCl3N2O3S2c2214911(3020(14)32126410(23)5712)81318(28)2621(31)27(19(13)29)1631215(24)17(16)25h19H(H262831)b138
MFCD02788847
ZINC000097960904
ZINC97960904
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