Vitas-M small molecule compound
methyl 5-cyano-2-methyl-6-[(2-methylbenzyl)sulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL323810
SMILES COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C#N)SCc1ccccc1C
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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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-14-8-4-5-9-16(14)13-31-22-18(12-24)21(20(15(2)25-22)23(27)30-3)17-10-6-7-11-19(17)26(28)29/h4-11,21,25H,13H2,1-3H3InChIKey
STDYGARCDAQAQV-UHFFFAOYSA-NSynonyms
(R)methyl5cyano2methyl6((2methylbenzyl)thio)4(2nitrophenyl)14dihydropyridine3carboxylate
CC1=CC=CC=C1CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3(N+)(=O)(O))C#N
COC(=O)C1=C(C)NC(=C((C@@H)1c1ccccc1(N+)(=O)(O))C#N)SCc1ccccc1C
COC(=O)C1=C(C)NC(=C(C1c1ccccc1(N+)(=O)(O))C#N)SCc1ccccc1C
InChI=1SC23H21N3O4Sc114845916(14)13312218(1224)21(20(15(2)2522)23(27)303)1710671119(17)26(28)29h4112125H13H213H3
methyl5cyano2methyl6((2methylbenzyl)sulfanyl)4(2nitrophenyl)14dihydropyridine3carboxylate
METHYL5CYANO2METHYL6((2METHYLPHENYL)METHYLSULFANYL)4(2NITROPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD28032024
ZINC000020813771
ZINC000027104055
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