Vitas-M small molecule compound
ethyl 5-(acetyloxy)-2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-bromo-1-phenyl-1H-indole-3-carboxylate
Catalog ID
STK548212
SMILES CCOC(=O)c1c(CSc2nc3c(s2)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 C27H21BrN2O4S2 MW 581.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O4S2/c1-3-33-26(32)25-18-13-23(34-16(2)31)19(28)14-21(18)30(17-9-5-4-6-10-17)22(25)15-35-27-29-20-11-7-8-12-24(20)36-27/h4-14H,3,15H2,1-2H3InChIKey
WJHMPIRJXVMWSL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4
ethyl5(acetyloxy)2((13benzothiazol2ylsulfanyl)methyl)6bromo1phenyl1Hindole3carboxylate
ethyl5acetoxy2((benzo(d)thiazol2ylthio)methyl)6bromo1phenyl1Hindole3carboxylate
ETHYL5ACETYLOXY2(13BENZOTHIAZOL2YLSULFANYLMETHYL)6BROMO1PHENYLINDOLE3CARBOXYLATE
InChI=1SC27H21BrN2O4S2c133326(32)25181323(3416(2)31)19(28)1421(18)30(1795461017)22(25)153527292011781224(20)3627h414H315H212H3
MFCD01438287
ZINC000001889343
ZINC01889343
ZINC1889343
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