Vitas-M small molecule compound
methyl 2-{2-(4-chlorophenyl)-4-hydroxy-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK515388
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1ccc(cc1)Cl)C(=O)c1oc2c(c1)cccc2OC)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 C26H19ClN2O7S MW 538.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O7S/c1-12-23(25(33)35-3)37-26(28-12)29-19(13-7-9-15(27)10-8-13)18(21(31)24(29)32)20(30)17-11-14-5-4-6-16(34-2)22(14)36-17/h4-11,19,31H,1-3H3InChIKey
AVNKWCGFJKKTJX-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=C(C=C5)Cl)C(=O)OC
InChI=1SC26H19ClN2O7Sc11223(25(33)353)3726(2812)2919(137915(27)10813)18(21(31)24(29)32)20(30)17111454616(342)22(14)3617h4111931H13H3
methyl2(2(4chlorophenyl)4hydroxy3((7methoxy1benzofuran2yl)carbonyl)5oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
METHYL2(2(4CHLOROPHENYL)4HYDROXY3(7METHOXY1BENZOFURAN2CARBONYL)5OXO2HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD04553032
ZINC000098046641
ZINC000098046642
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