Vitas-M small molecule compound
methyl 2-{2-(4-ethylphenyl)-4-hydroxy-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK904114
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)CC)C(=C(C1=O)O)C(=O)c1sc(nc1C)c1ccccc1
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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 C29H25N3O5S2 MW 559.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O5S2/c1-5-17-11-13-18(14-12-17)21-20(22(33)24-15(2)30-26(38-24)19-9-7-6-8-10-19)23(34)27(35)32(21)29-31-16(3)25(39-29)28(36)37-4/h6-14,21,34H,5H2,1-4H3InChIKey
BGZSBWRRJIJXKQ-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OC)C)O)C(=O)C4=C(N=C(S4)C5=CC=CC=C5)C
InChI=1SC29H25N3O5S2c1517111318(141217)2120(22(33)2415(2)3026(3824)1997681019)23(34)27(35)32(21)293116(3)25(3929)28(36)374h6142134H5H214H3
methyl2(2(4ethylphenyl)4hydroxy3((4methyl2phenyl13thiazol5yl)carbonyl)5oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
methyl2(2(4ethylphenyl)4hydroxy3(4methyl2phenyl13thiazole5carbonyl)5oxo2Hpyrrol1yl)4methyl13thiazole5carboxylate
MFCD18076015
ZINC000101344554
ZINC000101344559
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