Vitas-M small molecule compound
(5E)-1-(3,4-dimethylphenyl)-3-phenyl-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL418873
SMILES S=C1N(c2ccccc2)C(=O)/C(=C\c2ccc(o2)N2CCCCC2)/C(=O)N1c1ccc(c(c1)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 C28H27N3O3S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S/c1-19-11-12-22(17-20(19)2)31-27(33)24(26(32)30(28(31)35)21-9-5-3-6-10-21)18-23-13-14-25(34-23)29-15-7-4-8-16-29/h3,5-6,9-14,17-18H,4,7-8,15-16H2,1-2H3/b24-18+InChIKey
KUBWOFYGKUDFQJ-HKOYGPOVSA-NSynonyms
(5E)1(34dimethylphenyl)3phenyl5((5(piperidin1yl)furan2yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(34DIMETHYLPHENYL)3PHENYL5((5PIPERIDIN1YLFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCCC4)C(=O)N(C2=S)C5=CC=CC=C5)C
InChI=1SC28H27N3O3Sc119111222(1720(19)2)3127(33)24(26(32)30(28(31)35)2195361021)1823131425(3423)29157481629h3569141718H4781516H212H3b2418+
MFCD03226572
S=C1N(c2ccccc2)C(=O)C(=Cc2ccc(o2)N2CCCCC2)C(=O)N1c1ccc(c(c1)C)C
ZINC000000651450
ZINC00651450
ZINC651450
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