Vitas-M small molecule compound

methyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-hydroxy-4-(2-nitrophenyl)-3,4-dihydropyridine-3-carboxylate

Catalog ID
STK938547
SMILES CCOC(=O)CSC1=C(C#N)C(C(C(=N1)O)C(=O)OC)c1ccccc1[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 C18H17N3O7S MW 419.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O7S/c1-3-28-13(22)9-29-17-11(8-19)14(15(16(23)20-17)18(24)27-2)10-6-4-5-7-12(10)21(25)26/h4-7,14-15H,3,9H2,1-2H3,(H,20,23)
InChIKey
IPBNALVXJWKEQF-UHFFFAOYSA-N
Synonyms
332050-94-9
332050949
CCOC(=O)CSC1=C(C#N)C(C(C(=N1)O)C(=O)OC)c1ccccc1(N+)(=O)(O)
CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2(N+)(=O)(O))C#N
InChI=1SC18H17N3O7Sc132813(22)9291711(819)14(15(16(23)2017)18(24)272)10645712(10)21(25)26h471415H39H212H3(H2023)
methyl5cyano6((2ethoxy2oxoethyl)sulfanyl)2hydroxy4(2nitrophenyl)34dihydropyridine3carboxylate
METHYL5CYANO6(2ETHOXY2OXOETHYL)SULFANYL4(2NITROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD18178983
ZINC000002293250
ZINC000002293253

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Available files

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