Vitas-M small molecule compound

phenyl (2E)-2-{2-[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
STK045046
SMILES O=C(C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccccc1OCCOc1ccc(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)46-31-16-9-6-10-17-31)35(27-13-7-5-8-14-27)41-36(42)33(47-38(41)40-26)25-28-15-11-12-18-32(28)45-24-23-44-30-21-19-29(20-22-30)39(2,3)4/h5-22,25,35H,23-24H2,1-4H3/b33-25+
InChIKey
RBSPSGGIXVAQOI-INKHBPHZSA-N
Synonyms

CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3OCCOC4=CC=C(C=C4)C(C)(C)C)SC2=N1)C5=CC=CC=C5)C(=O)OC6=CC=CC=C6
InChI=1SC39H36N2O5Sc12634(37(43)46311696101731)35(27137581427)4136(42)33(4738(41)4026)25281511121832(28)4524234430211929(202230)39(23)4h5222535H2324H214H3b3325+
MFCD03183849
O=C(C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccccc1OCCOc1ccc(cc1)C(C)(C)C)s2)Oc1ccccc1
phenyl(2E)2((2(2(4tertbutylphenoxy)ethoxy)phenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
PHENYL(2E)2(2(2(4TERTBUTYLPHENOXY)ETHOXY)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK045046
ZINC000097958600
ZINC000097958601

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Available files

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