Vitas-M small molecule compound
(5E)-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL049728
SMILES ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)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 C22H19ClFN3O2S MW 443.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFN3O2S/c23-9-1-10-26-11-8-15-12-14(2-7-19(15)26)13-18-20(28)25-22(30)27(21(18)29)17-5-3-16(24)4-6-17/h2-7,12-13H,1,8-11H2,(H,25,28,30)/b18-13+InChIKey
MVOBAPJAZWVQBS-QGOAFFKASA-NSynonyms
714924-98-8(5E)5((1(3chloropropyl)23dihydro1Hindol5yl)methylidene)1(4fluorophenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1(3CHLOROPROPYL)23DIHYDROINDOL5YL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
714924988
C1CN(C2=C1C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F)CCCCl
ClCCCN1CCc2c1ccc(c2)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)F)S
InChI=1SC22H19ClFN3O2Sc23911026118151214(2719(15)26)131820(28)2522(30)27(21(18)29)175316(24)4617h271213H1811H2(H252830)b1813+
MFCD05734057
ZINC000002264090
ZINC2264090
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