Vitas-M small molecule compound

1-methyl-2-[(5-methyl-2,4-dinitrophenyl)sulfanyl]-1,4,5,6-tetrahydropyrimidine

Catalog ID
STK383236
SMILES CN1CCCN=C1Sc1cc(C)c(cc1[N+](=O)[O-])[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 C12H14N4O4S MW 310.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O4S/c1-8-6-11(21-12-13-4-3-5-14(12)2)10(16(19)20)7-9(8)15(17)18/h6-7H,3-5H2,1-2H3
InChIKey
LAMCGSHPJMWALJ-UHFFFAOYSA-N
Synonyms

1methyl2((5methyl24dinitrophenyl)sulfanyl)1456tetrahydropyrimidine
1METHYL2(5METHYL24DINITROPHENYL)SULFANYL56DIHYDRO4HPYRIMIDINE
CC1=CC(=C(C=C1(N+)(=O)(O))(N+)(=O)(O))SC2=NCCCN2C
CN1CCCN=C1Sc1cc(C)c(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H14N4O4Sc18611(21121343514(12)2)10(16(19)20)79(8)15(17)18h67H35H212H3
MFCD03103636
ZINC000004553482
ZINC4553482

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Available files

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