Vitas-M small molecule compound
tert-butyl {[(4R)-5-acetyl-3-cyano-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK757042
SMILES N#CC1=C(SCC(=O)OC(C)(C)C)NC(=C([C@H]1c1ccccc1[N+](=O)[O-])C(=O)C)C
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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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c1-12-18(13(2)25)19(14-8-6-7-9-16(14)24(27)28)15(10-22)20(23-12)30-11-17(26)29-21(3,4)5/h6-9,19,23H,11H2,1-5H3/t19-/m0/s1InChIKey
IWMPYKGPCOPHAS-IBGZPJMESA-NSynonyms
293320-00-0(R)tertbutyl2((5acetyl3cyano6methyl4(2nitrophenyl)14dihydropyridin2yl)thio)acetate
293320000
CC1=C(C(C(=C(N1)SCC(=O)OC(C)(C)C)C#N)C2=CC=CC=C2(N+)(=O)(O))C(=O)C
InChI=1SC21H23N3O5Sc11218(13(2)25)19(14867916(14)24(27)28)15(1022)20(2312)301117(26)2921(34)5h691923H11H215H3t19m0s1
MFCD13372091
N#CC1=C(SCC(=O)OC(C)(C)C)NC(=C((C@H)1c1ccccc1(N+)(=O)(O))C(=O)C)C
tertbutyl(((4R)5acetyl3cyano6methyl4(2nitrophenyl)14dihydropyridin2yl)sulfanyl)acetate
TERTBUTYL((5ACETYL3CYANO4(2NITROPHENYL)6METHYL14DIHYDRO2PYRIDINYL)SULFANYL)ACETATE
TERTBUTYL2(((4R)5ACETYL3CYANO6METHYL4(2NITROPHENYL)14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
ZINC000008411245
ZINC08411245
ZINC8411245
Check stock
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Check stock on Vitas-MAvailable files
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