Vitas-M small molecule compound

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-{[2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}ethanone

Catalog ID
STK338450
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1[nH]c(nc1S(=O)(=O)c1ccccc1)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 C28H28N4O4S2 MW 548.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S2/c1-36-23-14-12-22(13-15-23)31-16-18-32(19-17-31)25(33)20-37-27-28(38(34,35)24-10-6-3-7-11-24)30-26(29-27)21-8-4-2-5-9-21/h2-15H,16-20H2,1H3,(H,29,30)
InChIKey
XQDGGDAEEDXEGZ-UHFFFAOYSA-N
Synonyms

1(4(4methoxyphenyl)piperazin1yl)2((2phenyl4(phenylsulfonyl)1Himidazol5yl)sulfanyl)ethanone
1(4(4METHOXYPHENYL)PIPERAZINYL)2(2PHENYL4(PHENYLSULFONYL)IMIDAZOL5YLTHIO)ETHAN1ONE
2((5(benzenesulfonyl)2phenyl1Himidazol4yl)sulfanyl)1(4(4methoxyphenyl)piperazin1yl)ethanone
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=C(NC(=N3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5
COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1(nH)c(nc1S(=O)(=O)c1ccccc1)c1ccccc1
InChI=1SC28H28N4O4S2c13623141222(131523)31161832(191731)25(33)20372728(38(3435)24106371124)3026(2927)218425921h215H1620H21H3(H2930)
MFCD09964801
ZINC000101291137
ZINC101291137

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Available files

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