Vitas-M small molecule compound
ethyl (2Z)-2-({1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL168265
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)/c(=C/c1cn(c3c1cccc3)CCOc1ccccc1F)/s2)c1ccccc1
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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 C36H28FN3O4S2 MW 649.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28FN3O4S2/c1-2-43-35(42)31-32(23-11-4-3-5-12-23)38-36-40(33(31)29-17-10-20-45-29)34(41)30(46-36)21-24-22-39(27-15-8-6-13-25(24)27)18-19-44-28-16-9-7-14-26(28)37/h3-17,20-22,33H,2,18-19H2,1H3/b30-21-InChIKey
GNVUZKLKZXGFGC-OFWBYEQRSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)c(=Cc1cn(c3c1cccc3)CCOc1ccccc1F)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CN(C5=CC=CC=C54)CCOC6=CC=CC=C6F)S2)C7=CC=CC=C7
ethyl(2Z)2((1(2(2fluorophenoxy)ethyl)1Hindol3yl)methylidene)3oxo7phenyl5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2((1(2(2fluorophenoxy)ethyl)indol3yl)methylidene)3oxo7phenyl5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC36H28FN3O4S2c124335(42)3132(23114351223)383640(33(31)291710204529)34(41)30(4636)21242239(2715861325(24)27)1819442816971426(28)37h317202233H21819H21H3b3021
MFCD02086550
ZINC000033358539
ZINC000033358540
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