Vitas-M small molecule compound
2-[4-(diphenylmethyl)piperazin-1-yl]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Catalog ID
STK211113
SMILES O=c1cc(CSc2nnnn2c2ccccc2)nc([nH]1)N1CCN(CC1)C(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 C29H28N8OS MW 536.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N8OS/c38-26-20-24(21-39-29-32-33-34-37(29)25-14-8-3-9-15-25)30-28(31-26)36-18-16-35(17-19-36)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,20,27H,16-19,21H2,(H,30,31,38)InChIKey
GRCBYJFCMGRXMA-UHFFFAOYSA-NSynonyms
2(4(diphenylmethyl)piperazin1yl)6(((1phenyl1Htetrazol5yl)sulfanyl)methyl)pyrimidin4(3H)one
2(4BENZHYDRYLPIPERAZIN1YL)6((1PHENYL1HTETRAZOL5YLTHIO)METHYL)PYRIMIDIN4(3H)ONE
2(4BENZHYDRYLPIPERAZIN1YL)6((1PHENYLTETRAZOL5YL)SULFANYLMETHYL)1HPYRIMIDIN4ONE
C1CN(CCN1C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC29H28N8OSc38262024(21392932333437(29)25148391525)3028(3126)36181635(171936)27(22104151122)23126271323h1152027H161921H2(H303138)
MFCD06754745
O=c1cc(CSc2nnnn2c2ccccc2)nc((nH)1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
ZINC000100126650
ZINC100126650
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