Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-1H-indole-3-carboxylate
Catalog ID
STK731393
SMILES CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CSc1ccc(cc1)C)C)Br
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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 C22H22BrNO4S MW 476.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrNO4S/c1-5-27-22(26)21-16-10-20(28-14(3)25)17(23)11-18(16)24(4)19(21)12-29-15-8-6-13(2)7-9-15/h6-11H,5,12H2,1-4H3InChIKey
NTBRBRYSWHMBTI-UHFFFAOYSA-NSynonyms
1704066-63-61704066636
6BROMO3(ETHOXYCARBONYL)1METHYL2((4METHYLPHENYLTHIO)METHYL)INDOL5YLACETATE
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=C(C=C3)C
ethyl5(acetyloxy)6bromo1methyl2(((4methylphenyl)sulfanyl)methyl)1Hindole3carboxylate
ETHYL5ACETOXY6BROMO1METHYL2(PTOLYLTHIOMETHYL)1HINDOLE3CARBOXYLATE
ETHYL5ACETYLOXY6BROMO1METHYL2((4METHYLPHENYL)SULFANYLMETHYL)INDOLE3CARBOXYLATE
InChI=1SC22H22BrNO4Sc152722(26)21161020(2814(3)25)17(23)1118(16)24(4)19(21)1229158613(2)7915h611H512H214H3
MFCD00345932
ZINC000000862734
ZINC00862734
ZINC862734
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