Vitas-M small molecule compound
methyl 6-methyl-4-(2-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK705420
SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccccc1[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 C13H13N3O4S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4S/c1-7-10(12(17)20-2)11(15-13(21)14-7)8-5-3-4-6-9(8)16(18)19/h3-6,11H,1-2H3,(H2,14,15,21)InChIKey
DEQDDHVXZUEETG-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC=CC=C2(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC(=S)NC1c1ccccc1(N+)(=O)(O)
InChI=1SC13H13N3O4Sc1710(12(17)202)11(1513(21)147)853469(8)16(18)19h3611H12H3(H2141521)
METHYL6METHYL4(2NITROPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl6methyl4(2nitrophenyl)2thioxo1234tetrahydropyrimidine5carboxylate
MFCD01245821
ZINC000001515320
ZINC000001515323
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