Vitas-M small molecule compound
2-amino-1-(4-methoxyphenyl)-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
STK685806
SMILES COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1scc(c1)CSc1nnnn1C)N
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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 C26H27N7O2S2 MW 533.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N7O2S2/c1-26(2)10-19-23(20(34)11-26)22(21-9-15(13-36-21)14-37-25-29-30-31-32(25)3)18(12-27)24(28)33(19)16-5-7-17(35-4)8-6-16/h5-9,13,22H,10-11,14,28H2,1-4H3InChIKey
IGCJKMYFBMHZPK-UHFFFAOYSA-NSynonyms
2amino1(4methoxyphenyl)77dimethyl4(4(((1methyl1Htetrazol5yl)sulfanyl)methyl)thiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4METHOXYPHENYL)77DIMETHYL4(4((1METHYLTETRAZOL5YL)SULFANYLMETHYL)THIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)OC)N)C#N)C4=CC(=CS4)CSC5=NN=NN5C)C(=O)C1)C
InChI=1SC26H27N7O2S2c126(2)101923(20(34)1126)22(21915(133621)14372529303132(25)3)18(1227)24(28)33(19)165717(354)8616h591322H10111428H214H3
MFCD06013445
ZINC000098007416
ZINC000098007417
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