Vitas-M small molecule compound
3-({(E)-[1-(2-chloro-6-fluorobenzyl)-1H-indol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK158122
SMILES Fc1cccc(c1Cn1cc(c2c1cccc2)/C=N/n1cnc2c(c1=O)c1CCCCc1s2)Cl
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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 C26H20ClFN4OS MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClFN4OS/c27-20-8-5-9-21(28)19(20)14-31-13-16(17-6-1-3-10-22(17)31)12-30-32-15-29-25-24(26(32)33)18-7-2-4-11-23(18)34-25/h1,3,5-6,8-10,12-13,15H,2,4,7,11,14H2/b30-12+InChIKey
AKBWWITZFXCCMW-PNQUVVCRSA-NSynonyms
3(((E)(1(2chloro6fluorobenzyl)1Hindol3yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(1((2chloro6fluorophenyl)methyl)indol3yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CN(C5=CC=CC=C54)CC6=C(C=CC=C6Cl)F
Fc1cccc(c1Cn1cc(c2c1cccc2)C=Nn1cnc2c(c1=O)c1CCCCc1s2)Cl
InChI=1SC26H20ClFN4OSc272085921(28)19(20)14311316(176131022(17)31)12303215292524(26(32)33)187241123(18)3425h1356810121315H2471114H2b3012+
MFCD07037470
ZINC000009273429
ZINC34848671
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