Vitas-M small molecule compound
2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK074867
SMILES O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)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 C33H37N5O2S MW 567.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O2S/c39-32(37-22-20-36(21-23-37)28-12-6-2-7-13-28)25-41-33-35-34-31(38(33)29-14-8-3-9-15-29)24-40-30-18-16-27(17-19-30)26-10-4-1-5-11-26/h2-3,6-9,12-19,26H,1,4-5,10-11,20-25H2InChIKey
VRFUMOIGKHVNMD-UHFFFAOYSA-NSynonyms
2((5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)N5CCN(CC5)C6=CC=CC=C6
InChI=1SC33H37N5O2Sc3932(37222036(212337)28126271328)254133353431(38(33)29148391529)244030181627(171930)26104151126h2369121926H14510112025H2
MFCD03286990
O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
STK074867
ZINC000097995535
ZINC97995535
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