Vitas-M small molecule compound
ethyl 6-bromo-5-hydroxy-2-[(phenylsulfanyl)methyl]-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
Catalog ID
STK689501
SMILES CCOC(=O)c1c(CSc2ccccc2)oc2c1c(CN1CCCC1)c(c(c2)Br)O
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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 C23H24BrNO4S MW 490.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrNO4S/c1-2-28-23(27)21-19(14-30-15-8-4-3-5-9-15)29-18-12-17(24)22(26)16(20(18)21)13-25-10-6-7-11-25/h3-5,8-9,12,26H,2,6-7,10-11,13-14H2,1H3InChIKey
IWHUQXQKTUSSQP-UHFFFAOYSA-NSynonyms
6bromo3ethoxycarbonyl2(phenylsulfanylmethyl)4(pyrrolidin1ium1ylmethyl)1benzofuran5olate
CCOC(=O)C1=C(OC2=CC(=C(C(=C21)C(NH+)3CCCC3)(O))Br)CSC4=CC=CC=C4
ETHYL6BROMO5HYDROXY2((PHENYLSULFANYL)METHYL)4(PYRROLIDIN1YLMETHYL)1BENZOFURAN3CARBOXYLATE
InChI=1SC23H24BrNO4Sc122823(27)2119(1430158435915)29181217(24)22(26)16(20(18)21)132510671125h35891226H26710111314H21H3
MFCD08532104
ZINC000015079570
ZINC15079570
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