Vitas-M small molecule compound
methyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK419513
SMILES COC(=O)c1c(NC(=O)C2(C)CC2(Br)Br)sc2c1CCC(C2)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 C21H21Br2NO3S MW 527.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Br2NO3S/c1-20(11-21(20,22)23)19(26)24-17-16(18(25)27-2)14-9-8-13(10-15(14)28-17)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,24,26)InChIKey
HGGZCJQTHQVARH-UHFFFAOYSA-NSynonyms
CC1(CC1(Br)Br)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC
InChI=1SC21H21Br2NO3Sc120(1121(2022)23)19(26)241716(18(25)272)149813(1015(14)2817)126435712h3713H811H212H3(H2426)
methyl2(((22dibromo1methylcyclopropyl)carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
methyl2((22dibromo1methylcyclopropanecarbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
MFCD01923552
ZINC000002088279
ZINC000002088282
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