Vitas-M small molecule compound
2-({4-ethyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK211516
SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1COc1ccc2c(c1)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 C27H33N5O2S MW 491.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O2S/c1-2-32-25(19-34-24-13-12-21-8-6-7-9-22(21)18-24)28-29-27(32)35-20-26(33)31-16-14-30(15-17-31)23-10-4-3-5-11-23/h3-5,10-13,18H,2,6-9,14-17,19-20H2,1H3InChIKey
VADOIGUPERTJRY-UHFFFAOYSA-NSynonyms
2((4ethyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
2((4ethyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)COC4=CC5=C(CCCC5)C=C4
InChI=1SC27H33N5O2Sc123225(193424131221867922(21)1824)282927(32)352026(33)31161430(151731)23104351123h35101318H26914171920H21H3
MFCD04401703
ZINC000010076495
ZINC10076495
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