Vitas-M small molecule compound

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

Catalog ID
STK273294
SMILES Nc1nnc(s1)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 C19H21N7O3S2 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7O3S2/c20-17-23-24-19(31-17)30-10-13-8-16(27)22-18(21-13)26-5-3-25(4-6-26)9-12-1-2-14-15(7-12)29-11-28-14/h1-2,7-8H,3-6,9-11H2,(H2,20,23)(H,21,22,27)
InChIKey
HPIDBAIOBXBJQG-UHFFFAOYSA-N
Synonyms

6(((5amino134thiadiazol2yl)sulfanyl)methyl)2(4(13benzodioxol5ylmethyl)piperazin1yl)pyrimidin4(3H)one
6((5AMINO(134THIADIAZOL2YLTHIO))METHYL)2(4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL)3HYDROPYRIMIDIN4ONE
6((5amino134thiadiazol2yl)sulfanylmethyl)2(4(13benzodioxol5ylmethyl)piperazin1yl)1Hpyrimidin4one
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=O)C=C(N4)CSC5=NN=C(S5)N
InChI=1SC19H21N7O3S2c2017232419(3117)301013816(27)2218(2113)265325(4626)912121415(712)29112814h1278H36911H2(H22023)(H212227)
MFCD08709622
Nc1nnc(s1)SCc1cc(=O)(nH)c(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
ZINC000009614658
ZINC9614658

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Available files

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