Vitas-M small molecule compound
methyl {[3-cyano-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK847053
SMILES COC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)[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 C15H13N3O5S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O5S/c1-23-14(20)8-24-15-12(7-16)11(6-13(19)17-15)9-3-2-4-10(5-9)18(21)22/h2-5,11H,6,8H2,1H3,(H,17,19)InChIKey
GPOVLUVQYBLCDR-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)(N+)(=O)(O)
COC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)(N+)(=O)(O))C#N
InChI=1SC15H13N3O5Sc12314(20)8241512(716)11(613(19)1715)932410(59)18(21)22h2511H68H21H3(H1719)
methyl((3cyano6hydroxy4(3nitrophenyl)45dihydropyridin2yl)sulfanyl)acetate
METHYL2((5CYANO4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD04079801
ZINC000001859600
ZINC000001859602
Check stock
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Check stock on Vitas-MAvailable files
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