Vitas-M small molecule compound

6-methyl-2-[(4-nitrobenzyl)sulfanyl]pyrimidin-4(3H)-one

Catalog ID
STK124414
SMILES Cc1cc(=O)[nH]c(n1)SCc1ccc(cc1)[N+](=O)[O-]

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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 C12H11N3O3S MW 277.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O3S/c1-8-6-11(16)14-12(13-8)19-7-9-2-4-10(5-3-9)15(17)18/h2-6H,7H2,1H3,(H,13,14,16)
InChIKey
DZLSHRVBNSDZBD-UHFFFAOYSA-N
Synonyms
78932-25-9
4(1H)PYRIMIDINONE6METHYL2(((4NITROPHENYL)METHYL)THIO)
6METHYL2((4NITROBENZYL)SULFANYL)PYRIMIDIN4(3H)ONE
6METHYL2((4NITROPHENYL)METHYLSULFANYL)1HPYRIMIDIN4ONE
6METHYL2((4NITROPHENYL)METHYLTHIO)3HYDROPYRIMIDIN4ONE
78932259
CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)(N+)(=O)(O)
Cc1cc(=O)(nH)c(n1)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC12H11N3O3Sc18611(16)1412(138)19792410(539)15(17)18h26H7H21H3(H131416)
MFCD03487900
ZINC000018094241
ZINC18094241

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Available files

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