Vitas-M small molecule compound
methyl (2Z)-2-[4-(acetyloxy)benzylidene]-5-(3,4-diethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL505705
SMILES CCOc1cc(ccc1OCC)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)OC(=O)C)/s2)C(=O)OC
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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 C28H28N2O7S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7S/c1-6-35-21-13-10-19(15-22(21)36-7-2)25-24(27(33)34-5)16(3)29-28-30(25)26(32)23(38-28)14-18-8-11-20(12-9-18)37-17(4)31/h8-15,25H,6-7H2,1-5H3/b23-14-InChIKey
PHXKSTNORQOKKU-UCQKPKSFSA-NSynonyms
6034463
InChI=1SC28H28N2O7Sc163521131019(1522(21)3672)2524(27(33)345)16(3)292830(25)26(32)23(3828)141881120(12918)3717(4)31h81525H67H215H3b2314
methyl(2~(Z))2((4acetyloxyphenyl)methylidene)5(34diethoxyphenyl)7methyl3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2((4ACETYLOXYPHENYL)METHYLIDENE)5(34DIETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(4(acetyloxy)benzylidene)5(34diethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04083939
ZINC000100303379
ZINC000100303384
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