Vitas-M small molecule compound
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799111
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)C)/s2)C(=O)OCC(C)C
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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 C27H28N2O7S MW 524.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7S/c1-14(2)13-34-26(32)23-16(4)28-27-29(25(31)22(37-27)12-19-9-7-15(3)35-19)24(23)18-8-10-20(36-17(5)30)21(11-18)33-6/h7-12,14,24H,13H2,1-6H3/b22-12+InChIKey
PHLGGYVVOJXZKD-WSDLNYQXSA-NSynonyms
2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl2((5methylfuran2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2E)5(4ACETYLOXY3METHOXYPHENYL)7METHYL2((5METHYLFURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=CC=C(O1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC(C)C)C4=CC(=C(C=C4)OC(=O)C)OC
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)C)s2)C(=O)OCC(C)C
InChI=1SC27H28N2O7Sc114(2)133426(32)2316(4)282729(25(31)22(3727)12199715(3)3519)24(23)1881020(3617(5)30)21(1118)336h7121424H13H216H3b2212+
MFCD03462281
ZINC000002671836
ZINC000002671838
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.