Vitas-M small molecule compound
2-amino-1-(3-chlorophenyl)-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK685807
SMILES N#CC1=C(N)N(c2cccc(c2)Cl)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 C25H24ClN7OS2 MW 538.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN7OS2/c1-25(2)9-18-22(19(34)10-25)21(17(11-27)23(28)33(18)16-6-4-5-15(26)8-16)20-7-14(12-35-20)13-36-24-29-30-31-32(24)3/h4-8,12,21H,9-10,13,28H2,1-3H3InChIKey
QMZXEQZJVORDSX-UHFFFAOYSA-NSynonyms
2amino1(3chlorophenyl)77dimethyl4(4(((1methyl1Htetrazol5yl)sulfanyl)methyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(3CHLOROPHENYL)77DIMETHYL4(4((1METHYLTETRAZOL5YL)SULFANYLMETHYL)THIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC(=CS4)CSC5=NN=NN5C)C(=O)C1)C
InChI=1SC25H24ClN7OS2c125(2)91822(19(34)1025)21(17(1127)23(28)33(18)1664515(26)816)20714(123520)13362429303132(24)3h481221H9101328H213H3
MFCD06013446
ZINC000098007418
ZINC000098007419
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