Vitas-M small molecule compound
(5E)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL051731
SMILES COc1cccc(c1)N1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC)/C1=O)S
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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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c1-3-24-13-14(17-9-4-5-10-19(17)24)11-18-20(26)23-22(29)25(21(18)27)15-7-6-8-16(12-15)28-2/h4-13H,3H2,1-2H3,(H,23,26,29)/b18-11+InChIKey
AJHKTBXUDXKQLV-WOJGMQOQSA-NSynonyms
573931-69-8(5E)5((1ethyl1Hindol3yl)methylidene)1(3methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1ETHYLINDOL3YL)METHYLIDENE)1(3METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
573931698
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)OC
COc1cccc(c1)N1C(=NC(=O)C(=Cc2cn(c3c2cccc3)CC)C1=O)S
InChI=1SC22H19N3O3Sc13241314(179451019(17)24)111820(26)2322(29)25(21(18)27)1576816(1215)282h413H3H212H3(H232629)b1811+
MFCD05737762
ZINC000002195151
ZINC2195151
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