Vitas-M small molecule compound

methyl 3-{5-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-3-hydroxy-1H-pyrazol-4-yl}-3-(thiophen-3-yl)propanoate

Catalog ID
STL425749
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1cscc1

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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 C23H26N2O4S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4S/c1-23(2)8-6-15-10-14(4-5-19(15)29-23)11-18-21(22(27)25-24-18)17(12-20(26)28-3)16-7-9-30-13-16/h4-5,7,9-10,13,17H,6,8,11-12H2,1-3H3,(H2,24,25,27)
InChIKey
HFLNKVHKANMUGX-UHFFFAOYSA-N
Synonyms
1630902-90-7
1630902907
CC1(CCC2=C(O1)C=CC(=C2)CC3=C(C(=O)NN3)C(CC(=O)OC)C4=CSC=C4)C
COC(=O)CC(c1c((nH)nc1O)Cc1ccc2c(c1)CCC(O2)(C)C)c1cscc1
InChI=1SC23H26N2O4Sc123(2)86151014(4519(15)2923)111821(22(27)252418)17(1220(26)283)1679301316h4579101317H681112H213H3(H2242527)
methyl3(3((22dimethyl34dihydrochromen6yl)methyl)5oxo12dihydropyrazol4yl)3thiophen3ylpropanoate
methyl3(5((22dimethyl34dihydro2Hchromen6yl)methyl)3hydroxy1Hpyrazol4yl)3(thiophen3yl)propanoate
MFCD30710161
ZINC000218194213
ZINC000218194274

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Available files

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