Vitas-M small molecule compound
methyl 2-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK757817
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)c1sc2c(c1C(=O)OC)CCCC2
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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 C26H24N4O5S MW 504.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S/c1-35-26(32)22-16-5-2-3-8-20(16)36-25(22)29-18-6-4-7-19(31)23(18)21(17(13-27)24(29)28)14-9-11-15(12-10-14)30(33)34/h9-12,21H,2-8,28H2,1H3InChIKey
PPAIHJVDDFHNAX-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)CCC4
InChI=1SC26H24N4O5Sc13526(32)2216523820(16)3625(22)291864719(31)23(18)21(17(1327)24(29)28)1491115(121014)30(33)34h91221H2828H21H3
methyl2(2amino3cyano4(4nitrophenyl)5oxo4678tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino3cyano4(4nitrophenyl)5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01305075
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)c1sc2c(c1C(=O)OC)CCCC2
ZINC000003666030
ZINC000003666031
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