Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683455
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C1c1ccsc1)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 C26H22F3N5OS3 MW 573.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22F3N5OS3/c1-25(2)9-18-21(19(35)10-25)20(15-6-7-36-13-15)17(11-30)22(31)34(18)23-32-33-24(38-23)37-12-14-4-3-5-16(8-14)26(27,28)29/h3-8,13,20H,9-10,12,31H2,1-2H3InChIKey
WWUNRVLCPZEZRF-UHFFFAOYSA-NSynonyms
2amino77dimethyl5oxo4(thiophen3yl)1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL5OXO4THIOPHEN3YL1(5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC(=CC=C4)C(F)(F)F)N)C#N)C5=CSC=C5)C(=O)C1)C
InChI=1SC26H22F3N5OS3c125(2)91821(19(35)1025)20(1567361315)17(1130)22(31)34(18)23323324(3823)37121443516(814)26(2728)29h381320H9101231H212H3
MFCD05257880
ZINC000098006095
ZINC000098006096
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