Vitas-M small molecule compound
5-acetyl-2-(ethynylsulfanyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Catalog ID
STL324307
SMILES C#CSC1=C(C#N)C(C(=C(N1)C)C(=O)C)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 C17H13N3O3S MW 339.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O3S/c1-4-24-17-13(9-18)16(15(11(3)21)10(2)19-17)12-7-5-6-8-14(12)20(22)23/h1,5-8,16,19H,2-3H3InChIKey
ZSHMWZFCULPYBC-UHFFFAOYSA-NSynonyms
(R)5acetyl2(ethynylthio)6methyl4(2nitrophenyl)14dihydropyridine3carbonitrile
5acetyl2(ethynylsulfanyl)6methyl4(2nitrophenyl)14dihydropyridine3carbonitrile
5ACETYL2ETHYNYLSULFANYL6METHYL4(2NITROPHENYL)14DIHYDROPYRIDINE3CARBONITRILE
C#CSC1=C(C#N)(C@@H)(C(=C(N1)C)C(=O)C)c1ccccc1(N+)(=O)(O)
C#CSC1=C(C#N)C(C(=C(N1)C)C(=O)C)c1ccccc1(N+)(=O)(O)
CC1=C(C(C(=C(N1)SC#C)C#N)C2=CC=CC=C2(N+)(=O)(O))C(=O)C
InChI=1SC17H13N3O3Sc14241713(918)16(15(11(3)21)10(2)1917)12756814(12)20(22)23h1581619H23H3
MFCD07795253
ZINC000004629140
ZINC000004730786
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