Vitas-M small molecule compound
2-amino-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783427
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccc(cc1OC)OC
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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 C24H24N4O5S MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5S/c1-24(2)10-16-22(17(29)11-24)21(19-7-8-20(34-19)28(30)31)14(12-25)23(26)27(16)15-6-5-13(32-3)9-18(15)33-4/h5-9,21H,10-11,26H2,1-4H3InChIKey
YPGUXTXAGZSWJO-UHFFFAOYSA-NSynonyms
2amino1(24dimethoxyphenyl)77dimethyl4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(24DIMETHOXYPHENYL)77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)OC)OC)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC24H24N4O5Sc124(2)101622(17(29)1124)21(197820(3419)28(30)31)14(1225)23(26)27(16)156513(323)918(15)334h5921H101126H214H3
MFCD06618202
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1OC)OC
ZINC000012402321
ZINC000012402322
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