Vitas-M small molecule compound

methyl (2E)-2-[4-(benzyloxy)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK798811
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(cc1)OCc1ccccc1)/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 C30H26N2O5S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5S/c1-19-26(29(34)36-3)27(22-11-15-23(35-2)16-12-22)32-28(33)25(38-30(32)31-19)17-20-9-13-24(14-10-20)37-18-21-7-5-4-6-8-21/h4-17,27H,18H2,1-3H3/b25-17+
InChIKey
WNMUNOIOUMYSCH-KOEQRZSOSA-N
Synonyms

CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(cc1)OCc1ccccc1)s2
InChI=1SC30H26N2O5Sc11926(29(34)363)27(22111523(352)161222)3228(33)25(3830(32)3119)172091324(141020)3718217546821h41727H18H213H3b2517+
methyl(2E)2(4(benzyloxy)benzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl3oxo2((4phenylmethoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417830
ZINC000100839403
ZINC000100839404

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Available files

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