Vitas-M small molecule compound
methyl 1-({[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Catalog ID
STL365108
SMILES COC(=O)C1CCN(CC1)C(=O)CSc1nnc(n1CC)c1cc2c(o1)cccc2
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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 C21H24N4O4S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S/c1-3-25-19(17-12-15-6-4-5-7-16(15)29-17)22-23-21(25)30-13-18(26)24-10-8-14(9-11-24)20(27)28-2/h4-7,12,14H,3,8-11,13H2,1-2H3InChIKey
RWPGRDKGNHYCCN-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C(=O)OC)C3=CC4=CC=CC=C4O3
InChI=1SC21H24N4O4Sc132519(171215645716(15)2917)222321(25)301318(26)2410814(91124)20(27)282h471214H381113H212H3
methyl1(((5(1benzofuran2yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)piperidine4carboxylate
methyl1(2((5(1benzofuran2yl)4ethyl124triazol3yl)sulfanyl)acetyl)piperidine4carboxylate
MFCD09217115
ZINC000010681965
ZINC10681965
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