Vitas-M small molecule compound
methyl 2-{[(3-bromo-4-tert-butylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK042153
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)Br)C(C)(C)C)sc2c1CCCC2
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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 C21H24BrNO3S MW 450.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO3S/c1-21(2,3)14-10-9-12(11-15(14)22)18(24)23-19-17(20(25)26-4)13-7-5-6-8-16(13)27-19/h9-11H,5-8H2,1-4H3,(H,23,24)InChIKey
XLROGRZRYVOWSJ-UHFFFAOYSA-NSynonyms
CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br
COC(=O)c1c(NC(=O)c2ccc(c(c2)Br)C(C)(C)C)sc2c1CCCC2
InChI=1SC21H24BrNO3Sc121(23)1410912(1115(14)22)18(24)231917(20(25)264)13756816(13)2719h911H58H214H3(H2324)
methyl2(((3bromo4tertbutylphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3bromo4tertbutylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03373030
STK042153
ZINC000012040515
ZINC12040515
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