Vitas-M small molecule compound
methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-[4-(methylsulfanyl)benzylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK165343
SMILES CSc1ccc(cc1)/C=C/1\C(=O)N(C(=C1C(=O)OC)C)CCc1ccc(c(c1)OC)OC
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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 C25H27NO5S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5S/c1-16-23(25(28)31-4)20(14-17-6-9-19(32-5)10-7-17)24(27)26(16)13-12-18-8-11-21(29-2)22(15-18)30-3/h6-11,14-15H,12-13H2,1-5H3/b20-14-InChIKey
BQFZTNWEOFCOOG-ZHZULCJRSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1CCC3=CC(=C(C=C3)OC)OC)C(=O)OC
CSc1ccc(cc1)C=C1C(=O)N(C(=C1C(=O)OC)C)CCc1ccc(c(c1)OC)OC
InChI=1SC25H27NO5Sc11623(25(28)314)20(14176919(325)10717)24(27)26(16)13121881121(292)22(1518)303h6111415H1213H215H3b2014
METHYL(4Z)1(2(34DIMETHOXYPHENYL)ETHYL)2METHYL4((4METHYLSULFANYLPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(34DIMETHOXYPHENYL)ETHYL)2METHYL4(4(METHYLSULFANYL)BENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03016533
ZINC000008872531
ZINC08872531
ZINC8872531
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