Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL444646
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1cc(n(c1C)c1ccc(cc1)F)C)/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 C32H32FN3O4S MW 573.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32FN3O4S/c1-7-39-31(38)28-20(5)34-32-36(29(28)25-10-8-9-11-26(25)40-18(2)3)30(37)27(41-32)17-22-16-19(4)35(21(22)6)24-14-12-23(33)13-15-24/h8-18,29H,7H2,1-6H3/b27-17-InChIKey
PWXDJHBQPKXRDH-PKAZHMFMSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)c(=Cc1cc(n(c1C)c1ccc(cc1)F)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC(C)C)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)S2)C
ethyl(2Z)2((1(4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)7methyl3oxo5(2(propan2yloxy)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)7METHYL3OXO5(2PROPAN2YLOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC32H32FN3O4Sc173931(38)2820(5)343236(29(28)2510891126(25)4018(2)3)30(37)27(4132)17221619(4)35(21(22)6)24141223(33)131524h81829H7H216H3b2717
MFCD03166993
ZINC000008776394
ZINC000008776397
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.