Vitas-M small molecule compound
ethyl (2E)-2-[2-(benzyloxy)benzylidene]-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407019
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)/c(=C\c1ccccc1OCc1ccccc1)/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)23-15-9-11-17-25(23)36-3)29(34)26(39-31)18-22-14-8-10-16-24(22)38-19-21-12-6-5-7-13-21/h5-18,28H,4,19H2,1-3H3/b26-18+InChIKey
FOUNIBHAVAASPY-NLRVBDNBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1ccccc1OCc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC=CC=C4OCC5=CC=CC=C5)S2)C
ethyl(2E)2(2(benzyloxy)benzylidene)5(2methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(2methoxyphenyl)7methyl3oxo2((2phenylmethoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H28N2O5Sc143730(35)2720(2)323133(28(27)23159111725(23)363)29(34)26(3931)1822148101624(22)381921126571321h51828H419H213H3b2618+
MFCD04083825
ZINC000100305502
ZINC000100305506
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