Vitas-M small molecule compound
ethyl 5-(acetyloxy)-2-[(1H-benzimidazol-2-ylsulfanyl)methyl]-6-bromo-1-phenyl-1H-indole-3-carboxylate
Catalog ID
STK679117
SMILES CCOC(=O)c1c(CSc2nc3c([nH]2)cccc3)n(c2c1cc(OC(=O)C)c(c2)Br)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 C27H22BrN3O4S MW 564.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrN3O4S/c1-3-34-26(33)25-18-13-24(35-16(2)32)19(28)14-22(18)31(17-9-5-4-6-10-17)23(25)15-36-27-29-20-11-7-8-12-21(20)30-27/h4-14H,3,15H2,1-2H3,(H,29,30)InChIKey
CTAYIMWCRHLTTQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4
CCOC(=O)c1c(CSc2nc3c((nH)2)cccc3)n(c2c1cc(OC(=O)C)c(c2)Br)c1ccccc1
ethyl5(acetyloxy)2((1Hbenzimidazol2ylsulfanyl)methyl)6bromo1phenyl1Hindole3carboxylate
ETHYL5ACETYLOXY2(1HBENZIMIDAZOL2YLSULFANYLMETHYL)6BROMO1PHENYLINDOLE3CARBOXYLATE
InChI=1SC27H22BrN3O4Sc133426(33)25181324(3516(2)32)19(28)1422(18)31(1795461017)23(25)153627292011781221(20)3027h414H315H212H3(H2930)
MFCD03408418
ZINC000051104173
ZINC51104173
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