Vitas-M small molecule compound
ethyl (2Z)-5-(5-chloro-2-propoxyphenyl)-2-{4-[(4-fluorobenzyl)oxy]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK107264
SMILES CCCOc1ccc(cc1C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)OCc1ccc(cc1)F)/s2)C(=O)OCC)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 C33H30ClFN2O5S MW 621.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClFN2O5S/c1-4-16-41-27-15-10-23(34)18-26(27)30-29(32(39)40-5-2)20(3)36-33-37(30)31(38)28(43-33)17-21-8-13-25(14-9-21)42-19-22-6-11-24(35)12-7-22/h6-15,17-18,30H,4-5,16,19H2,1-3H3/b28-17-InChIKey
IKYAYKLUUSSLMB-QRQIAZFYSA-NSynonyms
CCCOC1=C(C=C(C=C1)Cl)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=C(C=C5)F)S3)C)C(=O)OCC
CCCOc1ccc(cc1C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)OCc1ccc(cc1)F)s2)C(=O)OCC)Cl
ETHYL(2Z)5(5CHLORO2PROPOXYPHENYL)2((4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(5CHLORO2PROPOXYPHENYL)2(4((4FLUOROBENZYL)OXY)BENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H30ClFN2O5Sc14164127151023(34)1826(27)3029(32(39)4052)20(3)363337(30)31(38)28(4333)172181325(14921)42192261124(35)12722h615171830H451619H213H3b2817
MFCD03167906
ZINC000097959553
ZINC000097959554
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