Vitas-M small molecule compound

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

Catalog ID
STK798096
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)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 C32H28N2O7S MW 584.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O7S/c1-19-28(31(37)39-4)29(23-12-15-25(41-20(2)35)26(17-23)38-3)34-30(36)27(42-32(34)33-19)16-21-10-13-24(14-11-21)40-18-22-8-6-5-7-9-22/h5-17,29H,18H2,1-4H3/b27-16+
InChIKey
YVIFCVZWCUUTAM-JVWAILMASA-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(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)OCc1ccccc1)s2
InChI=1SC32H28N2O7Sc11928(31(37)394)29(23121525(4120(2)35)26(1723)383)3430(36)27(4232(34)3319)1621101324(141121)4018228657922h51729H18H214H3b2716+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)2(4(benzyloxy)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4acetyloxy3methoxyphenyl)7methyl3oxo2((4phenylmethoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417333
ZINC000100838231
ZINC000100838232

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Available files

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