Vitas-M small molecule compound
(5E)-1-(3-methylphenyl)-5-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368187
SMILES Cc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCCCC2)/C1=O
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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-18-8-7-9-20(14-18)31-26(34)22(25(33)28-27(31)35)15-19-16-30(23-11-4-3-10-21(19)23)17-24(32)29-12-5-2-6-13-29/h3-4,7-11,14-16H,2,5-6,12-13,17H2,1H3,(H,28,33,35)/b22-15+InChIKey
ZMMBDJJRZCEPJC-PXLXIMEGSA-NSynonyms
(5E)1(3methylphenyl)5((1(2oxo2(piperidin1yl)ethyl)1Hindol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(3METHYLPHENYL)5((1(2OXO2PIPERIDIN1YLETHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)N5CCCCC5)C(=O)NC2=S
Cc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cn(c3c2cccc3)CC(=O)N2CCCCC2)C1=O
InChI=1SC27H26N4O3Sc11887920(1418)3126(34)22(25(33)2827(31)35)15191630(2311431021(19)23)1724(32)29125261329h347111416H256121317H21H3(H283335)b2215+
MFCD02954696
ZINC000001014260
ZINC1014260
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