Vitas-M small molecule compound
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683447
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)OC)C(=O)CC(C2)(C)C)c1nnc(s1)SCc1ccccc1Cl
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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 C28H26ClN5O2S2 MW 564.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClN5O2S2/c1-28(2)12-21-24(22(35)13-28)23(16-8-6-9-18(11-16)36-3)19(14-30)25(31)34(21)26-32-33-27(38-26)37-15-17-7-4-5-10-20(17)29/h4-11,23H,12-13,15,31H2,1-3H3InChIKey
IXFUOJCYCUSSOS-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(3methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(3METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)N)C#N)C5=CC(=CC=C5)OC)C(=O)C1)C
InChI=1SC28H26ClN5O2S2c128(2)122124(22(35)1328)23(1686918(1116)363)19(1430)25(31)34(21)26323327(3826)3715177451020(17)29h41123H12131531H213H3
MFCD05257872
ZINC000098006079
ZINC000098006080
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