Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-[4-(benzyloxy)-3-methoxyphenyl]-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK801255
SMILES COc1cc(ccc1OCc1ccccc1)C1N(c2nnc(s2)C)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)O
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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 C30H23N3O6S MW 553.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O6S/c1-17-31-32-30(40-17)33-26(20-12-13-22(23(15-20)37-2)38-16-18-8-4-3-5-9-18)25(28(35)29(33)36)27(34)24-14-19-10-6-7-11-21(19)39-24/h3-15,26,35H,16H2,1-2H3InChIKey
PKKBJFNAWUWTRH-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)4HYDROXY2(3METHOXY4PHENYLMETHOXYPHENYL)1(5METHYL134THIADIAZOL2YL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4(benzyloxy)3methoxyphenyl)3hydroxy1(5methyl134thiadiazol2yl)15dihydro2Hpyrrol2one
CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC
InChI=1SC30H23N3O6Sc117313230(4017)3326(20121322(23(1520)372)3816188435918)25(28(35)29(33)36)27(34)24141910671121(19)3924h3152635H16H212H3
MFCD04147987
ZINC000000703153
ZINC000008441815
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