Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-1-[{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}(2-fluorobenzyl)amino]cyclopentanecarboxamide
Catalog ID
STL446964
SMILES Cc1nc(SCC(=O)N(C2(CCCC2)C(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2F)nc(c1)C
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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 C28H29FN4O4S MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN4O4S/c1-18-13-19(2)31-27(30-18)38-16-25(34)33(15-20-7-3-4-8-22(20)29)28(11-5-6-12-28)26(35)32-21-9-10-23-24(14-21)37-17-36-23/h3-4,7-10,13-14H,5-6,11-12,15-17H2,1-2H3,(H,32,35)InChIKey
ZJBDMOLQWZKBDE-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2F)C3(CCCC3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC28H29FN4O4Sc1181319(2)3127(3018)381625(34)33(1520734822(20)29)28(11561228)26(35)32219102324(1421)37173623h347101314H5611121517H212H3(H3235)
MFCD06243549
N(13benzodioxol5yl)1((((46dimethylpyrimidin2yl)sulfanyl)acetyl)(2fluorobenzyl)amino)cyclopentanecarboxamide
N(13BENZODIOXOL5YL)1((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2FLUOROPHENYL)METHYL)AMINO)CYCLOPENTANE1CARBOXAMIDE
N(BENZO(D)(13)DIOXOL5YL)1(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2FLUOROBENZYL)ACETAMIDO)CYCLOPENTANECARBOXAMIDE
ZINC000001407237
ZINC01407237
ZINC1407237
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