Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522596
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)/c(=C/c1cn(c3c1cccc3)Cc1ccccc1Cl)/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 C35H32ClN3O3S MW 610.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32ClN3O3S/c1-5-42-34(41)31-22(4)37-35-39(32(31)24-16-14-23(15-17-24)21(2)3)33(40)30(43-35)18-26-20-38(29-13-9-7-11-27(26)29)19-25-10-6-8-12-28(25)36/h6-18,20-21,32H,5,19H2,1-4H3/b30-18-InChIKey
BZXUHQRSOBFTNT-YKQZZPSBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C(C)C)c(=O)c(=Cc1cn(c3c1cccc3)Cc1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)C)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6Cl)S2)C
ETHYL(2Z)2((1((2CHLOROPHENYL)METHYL)INDOL3YL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2((1(2chlorobenzyl)1Hindol3yl)methylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC35H32ClN3O3Sc154234(41)3122(4)373539(32(31)24161423(151724)21(2)3)33(40)30(4335)18262038(2913971127(26)29)192510681228(25)36h618202132H519H214H3b3018
MFCD02109399
ZINC000100617779
ZINC000100617785
Check stock
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Check stock on Vitas-MAvailable files
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