Vitas-M small molecule compound

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidin-4(3H)-one

Catalog ID
STK203129
SMILES Clc1ccc(cc1)SCc1cc(=O)[nH]c(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C23H23ClN4O3S MW 470.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O3S/c24-17-2-4-19(5-3-17)32-14-18-12-22(29)26-23(25-18)28-9-7-27(8-10-28)13-16-1-6-20-21(11-16)31-15-30-20/h1-6,11-12H,7-10,13-15H2,(H,25,26,29)
InChIKey
XPCIPNOBROVNBQ-UHFFFAOYSA-N
Synonyms

2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)6(((4CHLOROPHENYL)SULFANYL)METHYL)PYRIMIDIN4(3H)ONE
2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)6((4CHLOROPHENYL)SULFANYLMETHYL)1HPYRIMIDIN4ONE
2(4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)6((4CHLOROPHENYLTHIO)METHYL)3HYDROPYRIMIDIN4ONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCc1cc(=O)(nH)c(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC23H23ClN4O3Sc24172419(5317)3214181222(29)2623(2518)289727(81028)1316162021(1116)31153020h161112H7101315H2(H252629)
MFCD05839636
ZINC000001057287
ZINC1057287

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Available files

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