Vitas-M small molecule compound
propan-2-yl (2Z)-2-(4-fluorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK876552
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)F)/s2)C(=O)OC(C)C
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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 C25H23FN2O4S MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23FN2O4S/c1-14(2)32-24(30)21-15(3)27-25-28(22(21)17-7-11-19(31-4)12-8-17)23(29)20(33-25)13-16-5-9-18(26)10-6-16/h5-14,22H,1-4H3/b20-13-InChIKey
PAENSAQNQXEZQM-MOSHPQCFSA-NSynonyms
(Z)isopropyl2(4fluorobenzylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)F)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)F)s2)C(=O)OC(C)C
InChI=1SC25H23FN2O4Sc114(2)3224(30)2115(3)272528(22(21)1771119(314)12817)23(29)20(3325)13165918(26)10616h51422H14H3b2013
MFCD02995631
PROPAN2YL(2Z)2((4FLUOROPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)2(4fluorobenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000001828505
ZINC000001828507
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