Vitas-M small molecule compound
(5E)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-1-(3,4-dichlorophenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK674574
SMILES Brc1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)Cl)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 C27H15BrCl2N2O3S MW 598.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H15BrCl2N2O3S/c28-17-8-6-16(7-9-17)24-13-11-20(35-24)15-21-25(33)31(18-4-2-1-3-5-18)27(36)32(26(21)34)19-10-12-22(29)23(30)14-19/h1-15H/b21-15+InChIKey
KNSXYDUHMDLLKC-RCCKNPSSSA-NSynonyms
(5E)5((5(4BROMOPHENYL)FURAN2YL)METHYLIDENE)1(34DICHLOROPHENYL)3PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((5(4bromophenyl)furan2yl)methylidene)1(34dichlorophenyl)3phenyl2thioxodihydropyrimidine46(1H5H)dione
Brc1ccc(cc1)c1ccc(o1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)Cl)Cl
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C(=O)N(C2=S)C5=CC(=C(C=C5)Cl)Cl
InChI=1SC27H15BrCl2N2O3Sc28178616(7917)24131120(3524)152125(33)31(184213518)27(36)32(26(21)34)19101222(29)23(30)1419h115Hb2115+
MFCD01459976
ZINC000033355460
ZINC33355460
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