Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(2-cyanobenzyl)-1H-indol-3-yl]methylidene}-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522605
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccccc1C#N)/s2
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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 C35H31N5O3S MW 601.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31N5O3S/c1-5-43-34(42)31-22(2)37-35-40(32(31)23-14-16-27(17-15-23)38(3)4)33(41)30(44-35)18-26-21-39(29-13-9-8-12-28(26)29)20-25-11-7-6-10-24(25)19-36/h6-18,21,32H,5,20H2,1-4H3/b30-18-InChIKey
KDNMQGAFDHYYRO-YKQZZPSBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccccc1C#N)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6C#N)S2)C
ethyl(2Z)2((1((2cyanophenyl)methyl)indol3yl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1((2CYANOPHENYL)METHYL)INDOL3YL)METHYLIDENE)5(4DIMETHYLAMINOPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2((1(2cyanobenzyl)1Hindol3yl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC35H31N5O3Sc154334(42)3122(2)373540(32(31)23141627(171523)38(3)4)33(41)30(4435)18262139(2913981228(26)29)202511761024(25)1936h6182132H520H214H3b3018
MFCD02109407
ZINC000100618100
ZINC000100618104
Check stock
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Check stock on Vitas-MAvailable files
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