Vitas-M small molecule compound
2-amino-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK776154
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)C)C2=C(C1c1ccsc1)C(=O)CCC2
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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 C24H21N5OS3 MW 491.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5OS3/c1-14-5-7-15(8-6-14)12-32-24-28-27-23(33-24)29-18-3-2-4-19(30)21(18)20(16-9-10-31-13-16)17(11-25)22(29)26/h5-10,13,20H,2-4,12,26H2,1H3InChIKey
ZACXWYLKNAONRF-UHFFFAOYSA-NSynonyms
2amino1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2amino1(5((4methylphenyl)methylsulfanyl)134thiadiazol2yl)5oxo4thiophen3yl4678tetrahydroquinoline3carbonitrile
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CSC=C5)C(=O)CCC4
InChI=1SC24H21N5OS3c1145715(8614)123224282723(3324)291832419(30)21(18)20(16910311316)17(1125)22(29)26h5101320H241226H21H3
MFCD05258586
ZINC000012447722
ZINC000012447723
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