Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK685987
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1scc(c1)CSc1nnnn1C)C(=O)CC(C2)(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 C25H24N8O3S2 MW 548.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N8O3S2/c1-25(2)9-18-22(19(34)10-25)21(20-7-14(12-37-20)13-38-24-28-29-30-31(24)3)17(11-26)23(27)32(18)15-5-4-6-16(8-15)33(35)36/h4-8,12,21H,9-10,13,27H2,1-3H3InChIKey
JNVKWWRXCZEZLG-UHFFFAOYSA-NSynonyms
2amino77dimethyl4(4(((1methyl1Htetrazol5yl)sulfanyl)methyl)thiophen2yl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL4(4((1METHYLTETRAZOL5YL)SULFANYLMETHYL)THIOPHEN2YL)1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC(=CS4)CSC5=NN=NN5C)C(=O)C1)C
InChI=1SC25H24N8O3S2c125(2)91822(19(34)1025)21(20714(123720)13382428293031(24)3)17(1126)23(27)32(18)1554616(815)33(35)36h481221H9101327H213H3
MFCD06014153
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1scc(c1)CSc1nnnn1C)C(=O)CC(C2)(C)C
ZINC000098007785
ZINC000098007788
Check stock
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Check stock on Vitas-MAvailable files
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