Vitas-M small molecule compound
ethyl (2Z)-2-[4-(benzyloxy)-3-methoxybenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL406433
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(c(c1)OC)OCc1ccccc1)/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 C31H28N2O5S MW 540.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O5S/c1-4-37-30(35)27-20(2)32-31-33(28(27)23-13-9-6-10-14-23)29(34)26(39-31)18-22-15-16-24(25(17-22)36-3)38-19-21-11-7-5-8-12-21/h5-18,28H,4,19H2,1-3H3/b26-18-InChIKey
IQQGJFQRMOKSSS-ITYLOYPMSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)OC)OCc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)S2)C
ETHYL(2Z)2((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4(benzyloxy)3methoxybenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H28N2O5Sc143730(35)2720(2)323133(28(27)231396101423)29(34)26(3931)1822151624(25(1722)363)381921117581221h51828H419H213H3b2618
MFCD01061664
ZINC000006545097
ZINC000006545102
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