Vitas-M small molecule compound
2-({2-bromo-4-[(E)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-thioxotetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}methyl)benzonitrile
Catalog ID
STK378335
SMILES N#Cc1ccccc1COc1ccc(cc1Br)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)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 C28H22BrN3O3S MW 560.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrN3O3S/c1-17(2)19-8-10-22(11-9-19)32-27(34)23(26(33)31-28(32)36)13-18-7-12-25(24(29)14-18)35-16-21-6-4-3-5-20(21)15-30/h3-14,17H,16H2,1-2H3,(H,31,33,36)/b23-13+InChIKey
ZOAJQFLAAQYMBT-YDZHTSKRSA-NSynonyms
2((2BROMO4((1(4(METHYLETHYL)PHENYL)46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)PHENOXY)METHYL)BENZENECARBONITRILE
2((2bromo4((E)(46dioxo1(4(propan2yl)phenyl)2thioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzonitrile
2((2BROMO4((E)(46DIOXO1(4PROPAN2YLPHENYL)2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Br)C(=O)NC2=S
InChI=1SC28H22BrN3O3Sc117(2)1981022(11919)3227(34)23(26(33)3128(32)36)131871225(24(29)1418)351621643520(21)1530h31417H16H212H3(H313336)b2313+
MFCD01874561
N#Cc1ccccc1COc1ccc(cc1Br)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)C
ZINC000097962898
ZINC97962898
Check stock
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