Vitas-M small molecule compound
phenyl (2E)-2-{3-[2-(4-tert-butylphenoxy)ethoxy]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK089192
SMILES O=C(C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cccc(c1)OCCOc1ccc(cc1)C(C)(C)C)/s2)Oc1ccccc1
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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 C39H36N2O5S MW 644.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H36N2O5S/c1-26-34(37(43)46-31-15-9-6-10-16-31)35(28-13-7-5-8-14-28)41-36(42)33(47-38(41)40-26)25-27-12-11-17-32(24-27)45-23-22-44-30-20-18-29(19-21-30)39(2,3)4/h5-21,24-25,35H,22-23H2,1-4H3/b33-25+InChIKey
BAEVMNQCEHAWTJ-INKHBPHZSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OCCOC4=CC=C(C=C4)C(C)(C)C)SC2=N1)C5=CC=CC=C5)C(=O)OC6=CC=CC=C6
InChI=1SC39H36N2O5Sc12634(37(43)46311596101631)35(28137581428)4136(42)33(4738(41)4026)252712111732(2427)4523224430201829(192130)39(23)4h521242535H2223H214H3b3325+
MFCD03183847
O=C(C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cccc(c1)OCCOc1ccc(cc1)C(C)(C)C)s2)Oc1ccccc1
phenyl(2E)2((3(2(4tertbutylphenoxy)ethoxy)phenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
PHENYL(2E)2(3(2(4TERTBUTYLPHENOXY)ETHOXY)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK089192
ZINC000097959178
ZINC000097959179
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Check stock on Vitas-MAvailable files
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