Vitas-M small molecule compound
(5E)-1-(2-fluorophenyl)-5-[(1-propyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL042854
SMILES CCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)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 C22H18FN3O2S MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O2S/c1-2-11-25-13-14(15-7-3-5-9-18(15)25)12-16-20(27)24-22(29)26(21(16)28)19-10-6-4-8-17(19)23/h3-10,12-13H,2,11H2,1H3,(H,24,27,29)/b16-12+InChIKey
KFMGFIWQHGYAKJ-FOWTUZBSSA-NSynonyms
714932-27-1(5E)1(2fluorophenyl)5((1propyl1Hindol3yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(2FLUOROPHENYL)5((1PROPYLINDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
714932271
CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
CCCn1cc(c2c1cccc2)C=C1C(=O)N=C(N(C1=O)c1ccccc1F)S
InChI=1SC22H18FN3O2Sc1211251314(15735918(15)25)121620(27)2422(29)26(21(16)28)191064817(19)23h3101213H211H21H3(H242729)b1612+
MFCD05734711
ZINC000005100864
ZINC5100864
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