Vitas-M small molecule compound

1'-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-1,4'-bipiperidine-4'-carboxamide

Catalog ID
STK149883
SMILES O=C(N1CCC(CC1)(N1CCCCC1)C(=O)N)CSc1nc(C)cc(=O)[nH]1

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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 C18H27N5O3S MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N5O3S/c1-13-11-14(24)21-17(20-13)27-12-15(25)22-9-5-18(6-10-22,16(19)26)23-7-3-2-4-8-23/h11H,2-10,12H2,1H3,(H2,19,26)(H,20,21,24)
InChIKey
BFAISAZTQVDNCU-UHFFFAOYSA-N
Synonyms
517869-10-2
1(((4HYDROXY6METHYLPYRIMIDIN2YL)SULFANYL)ACETYL)14BIPIPERIDINE4CARBOXAMIDE
1(((4METHYL6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)ACETYL)14BIPIPERIDINE4CARBOXAMIDE
1(2((4methyl6oxo16dihydropyrimidin2yl)thio)acetyl)(14bipiperidine)4carboxamide
1(2((6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)4PIPERIDIN1YLPIPERIDINE4CARBOXAMIDE
1(2(6METHYL4OXO(3HYDROPYRIMIDIN2YLTHIO))ACETYL)4PIPERIDYLPIPERIDINE4CARBOXAMIDE
2(2(4carbamoyl4piperidin1ium1ylpiperidin1yl)2oxoethyl)sulfanyl6methylpyrimidin4olate
CC1=CC(=NC(=N1)SCC(=O)N2CCC(CC2)(C(=O)N)(NH+)3CCCCC3)(O)
InChI=1SC18H27N5O3Sc1131114(24)2117(2013)271215(25)229518(6102216(19)26)237324823h11H21012H21H3(H21926)(H202124)
MFCD03778851
O=C(N1CCC(CC1)(N1CCCCC1)C(=O)N)CSc1nc(C)cc(=O)(nH)1
ZINC9328768

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Available files

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