Vitas-M small molecule compound
2-methylpropyl (2E)-7-methyl-3-oxo-2-[4-(pentyloxy)benzylidene]-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798681
SMILES CCCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC(C)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 C28H32N2O4S2 MW 524.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O4S2/c1-5-6-7-14-33-21-12-10-20(11-13-21)16-23-26(31)30-25(22-9-8-15-35-22)24(19(4)29-28(30)36-23)27(32)34-17-18(2)3/h8-13,15-16,18,25H,5-7,14,17H2,1-4H3/b23-16+InChIKey
YWIKNQIUJJHWSA-XQNSMLJCSA-NSynonyms
2METHYLPROPYL(2E)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
2methylpropyl(2E)7methyl3oxo2(4(pentyloxy)benzylidene)5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC(C)C)C4=CC=CS4
CCCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCC(C)C)C
InChI=1SC28H32N2O4S2c1567143321121020(111321)162326(31)3025(2298153522)24(19(4)2928(30)3623)27(32)341718(2)3h81315161825H571417H214H3b2316+
MFCD03417775
ZINC000016700379
ZINC000016700381
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