Vitas-M small molecule compound
2-amino-4-(2,4-dichlorophenyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683685
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccc(cc2)C)C2=C(C1c1ccc(cc1Cl)Cl)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 C26H21Cl2N5OS2 MW 554.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21Cl2N5OS2/c1-14-5-7-15(8-6-14)13-35-26-32-31-25(36-26)33-20-3-2-4-21(34)23(20)22(18(12-29)24(33)30)17-10-9-16(27)11-19(17)28/h5-11,22H,2-4,13,30H2,1H3InChIKey
XTVGFGHKRMJIAC-UHFFFAOYSA-NSynonyms
2amino4(24dichlorophenyl)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(24dichlorophenyl)1(5((4methylphenyl)methylsulfanyl)134thiadiazol2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=C(C=C(C=C5)Cl)Cl)C(=O)CCC4
InChI=1SC26H21Cl2N5OS2c1145715(8614)133526323125(3626)332032421(34)23(20)22(18(1229)24(33)30)1710916(27)1119(17)28h51122H241330H21H3
MFCD05258543
ZINC000098006216
ZINC000098006217
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