Vitas-M small molecule compound
2-methylpropyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812511
SMILES CC(COC(=O)C1=C(C)NC(=S)NC1c1cccc(c1)[N+](=O)[O-])C
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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 C16H19N3O4S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4S/c1-9(2)8-23-15(20)13-10(3)17-16(24)18-14(13)11-5-4-6-12(7-11)19(21)22/h4-7,9,14H,8H2,1-3H3,(H2,17,18,24)InChIKey
CSPYARXGGMTLRL-UHFFFAOYSA-NSynonyms
2METHYLPROPYL6METHYL4(3NITROPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2methylpropyl6methyl4(3nitrophenyl)2thioxo1234tetrahydropyrimidine5carboxylate
CC(COC(=O)C1=C(C)NC(=S)NC1c1cccc(c1)(N+)(=O)(O))C
CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC(C)C
InChI=1SC16H19N3O4Sc19(2)82315(20)1310(3)1716(24)1814(13)1154612(711)19(21)22h47914H8H213H3(H2171824)
MFCD00858003
ZINC000000193876
ZINC000000193878
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