Vitas-M small molecule compound
(5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-1-(naphthalen-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL055344
SMILES CCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)c1cccc2c1cccc2)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 C27H25N3O2S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2S/c1-2-3-14-29-15-13-20-16-18(11-12-23(20)29)17-22-25(31)28-27(33)30(26(22)32)24-10-6-8-19-7-4-5-9-21(19)24/h4-12,16-17H,2-3,13-15H2,1H3,(H,28,31,33)/b22-17+InChIKey
ZPUJAHVCXLQFPJ-OQKWZONESA-NSynonyms
714945-88-7(5E)5((1butyl23dihydro1Hindol5yl)methylidene)1(naphthalen1yl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BUTYL23DIHYDROINDOL5YL)METHYLIDENE)1NAPHTHALEN1YL2SULFANYLIDENE13DIAZINANE46DIONE
714945887
CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC5=CC=CC=C54
CCCCN1CCc2c1ccc(c2)C=C1C(=O)N=C(N(C1=O)c1cccc2c1cccc2)S
InChI=1SC27H25N3O2Sc12314291513201618(111223(20)29)172225(31)2827(33)30(26(22)32)24106819745921(19)24h4121617H231315H21H3(H283133)b2217+
MFCD05737172
ZINC000013512604
ZINC13512604
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