Vitas-M small molecule compound
ethyl (2Z)-2-[4-(acetyloxy)-3-methoxybenzylidene]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL495653
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1ccc(c(c1)OC)OC(=O)C)/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 C28H28N2O7S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7S/c1-6-35-20-11-9-19(10-12-20)25-24(27(33)36-7-2)16(3)29-28-30(25)26(32)23(38-28)15-18-8-13-21(37-17(4)31)22(14-18)34-5/h8-15,25H,6-7H2,1-5H3/b23-15-InChIKey
MCGPKRZPCCBIJL-HAHDFKILSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1ccc(c(c1)OC)OC(=O)C)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C=C4)OC(=O)C)OC)S3)C)C(=O)OCC
ETHYL(2Z)2((4ACETYLOXY3METHOXYPHENYL)METHYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4(acetyloxy)3methoxybenzylidene)5(4ethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H28N2O7Sc16352011919(101220)2524(27(33)3672)16(3)292830(25)26(32)23(3828)151881321(3717(4)31)22(1418)345h81525H67H215H3b2315
MFCD05040342
ZINC000000669436
ZINC000000669440
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