Vitas-M small molecule compound
methyl 2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK436972
SMILES COC(=O)c1c(NC(=S)Nc2c(C)nn(c2C)Cc2ccc(cc2)F)sc2c1CCC(C2)C
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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 C24H27FN4O2S2 MW 486.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN4O2S2/c1-13-5-10-18-19(11-13)33-22(20(18)23(30)31-4)27-24(32)26-21-14(2)28-29(15(21)3)12-16-6-8-17(25)9-7-16/h6-9,13H,5,10-12H2,1-4H3,(H2,26,27,32)InChIKey
WHBPRLGIPNVEHF-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(N(N=C3C)CC4=CC=C(C=C4)F)C
InChI=1SC24H27FN4O2S2c1135101819(1113)3322(20(18)23(30)314)2724(32)262114(2)2829(15(21)3)12166817(25)9716h6913H51012H214H3(H2262732)
methyl2(((1(4fluorobenzyl)35dimethyl1Hpyrazol4yl)carbamothioyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((1((4fluorophenyl)methyl)35dimethylpyrazol4yl)carbamothioylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03945280
ZINC000020294380
ZINC000020294384
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