Vitas-M small molecule compound
5-chloro-2-(methylsulfonyl)-N-(4-nitrophenyl)pyrimidine-4-carboxamide
Catalog ID
STK907930
SMILES O=C(c1nc(ncc1Cl)S(=O)(=O)C)Nc1ccc(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 C12H9ClN4O5S MW 356.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClN4O5S/c1-23(21,22)12-14-6-9(13)10(16-12)11(18)15-7-2-4-8(5-3-7)17(19)20/h2-6H,1H3,(H,15,18)InChIKey
CGDQESVTSDHNKE-UHFFFAOYSA-NSynonyms
5chloro2(methylsulfonyl)N(4nitrophenyl)pyrimidine4carboxamide
5chloro2methylsulfonylN(4nitrophenyl)pyrimidine4carboxamide
CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)(N+)(=O)(O))Cl
InChI=1SC12H9ClN4O5Sc123(2122)121469(13)10(1612)11(18)157248(537)17(19)20h26H1H3(H1518)
MFCD06647424
O=C(c1nc(ncc1Cl)S(=O)(=O)C)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000016751844
ZINC16751844
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