Vitas-M small molecule compound
propan-2-yl (2E)-2-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797961
SMILES C=CCOc1ccc(cc1OC)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(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 C26H26N2O5S2 MW 510.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5S2/c1-6-11-32-18-10-9-17(13-19(18)31-5)14-21-24(29)28-23(20-8-7-12-34-20)22(25(30)33-15(2)3)16(4)27-26(28)35-21/h6-10,12-15,23H,1,11H2,2-5H3/b21-14+InChIKey
JGELRZRQQKREBV-KGENOOAVSA-NSynonyms
C=CCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC(C)C)C
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)OC)SC2=N1)C4=CC=CS4)C(=O)OC(C)C
InChI=1SC26H26N2O5S2c1611321810917(1319(18)315)142124(29)2823(2087123420)22(25(30)3315(2)3)16(4)2726(28)3521h610121523H111H225H3b2114+
MFCD03417307
propan2yl(2E)2((3methoxy4prop2enoxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)2(3methoxy4(prop2en1yloxy)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000016700068
ZINC000016700070
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