Vitas-M small molecule compound

6-{[(4-chlorophenyl)sulfanyl]methyl}-2-({2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one

Catalog ID
STK149891
SMILES Clc1ccc(cc1)SCc1cc(=O)[nH]c(n1)SCC(=O)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 C30H29ClN4O2S2 MW 577.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN4O2S2/c31-24-11-13-26(14-12-24)38-20-25-19-27(36)33-30(32-25)39-21-28(37)34-15-17-35(18-16-34)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19,29H,15-18,20-21H2,(H,32,33,36)
InChIKey
OJZRKFFAXWUPEA-UHFFFAOYSA-N
Synonyms

2(2(4(DIPHENYLMETHYL)PIPERAZINYL)2OXOETHYLTHIO)6((4CHLOROPHENYLTHIO)METHYL)3HYDROPYRIMIDIN4ONE
2(2(4BENZHYDRYLPIPERAZIN1YL)2OXOETHYL)SULFANYL6((4CHLOROPHENYL)SULFANYLMETHYL)1HPYRIMIDIN4ONE
6(((4CHLOROPHENYL)SULFANYL)METHYL)2((2(4(DIPHENYLMETHYL)PIPERAZIN1YL)2OXOETHYL)SULFANYL)PYRIMIDIN4(3H)ONE
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC(=O)C=C(N4)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCc1cc(=O)(nH)c(n1)SCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI=1SC30H29ClN4O2S2c3124111326(141224)3820251927(36)3330(3225)392128(37)34151735(181634)29(227314822)2395261023h1141929H15182021H2(H323336)
MFCD03778870
ZINC000097948518
ZINC97948518

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.