Vitas-M small molecule compound
ethyl 4-methyl-6-(4-methyl-3-nitrophenyl)-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK279088
SMILES CCOC(=O)C1=C(C)N=C(NC1c1ccc(c(c1)[N+](=O)[O-])C)S
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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 C15H17N3O4S MW 335.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O4S/c1-4-22-14(19)12-9(3)16-15(23)17-13(12)10-6-5-8(2)11(7-10)18(20)21/h5-7,13H,4H2,1-3H3,(H2,16,17,23)InChIKey
WQTFGPLODFELHU-UHFFFAOYSA-NSynonyms
678971-98-7678971987
CCOC(=O)C1=C(C)N=C(NC1c1ccc(c(c1)(N+)(=O)(O))C)S
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)C)(N+)(=O)(O))C
ETHYL4METHYL6(4METHYL3NITROPHENYL)2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
ETHYL6METHYL4(4METHYL3NITROPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC15H17N3O4Sc142214(19)129(3)1615(23)1713(12)10658(2)11(710)18(20)21h5713H4H213H3(H2161723)
MFCD09269717
ZINC000009096091
ZINC000009096092
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