Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK778692
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1nnc(s1)SC(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 C24H25N5O3S2 MW 495.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O3S2/c1-12(2)33-23-28-27-22(34-23)29-15-8-24(3,4)9-16(30)20(15)19(14(10-25)21(29)26)13-5-6-17-18(7-13)32-11-31-17/h5-7,12,19H,8-9,11,26H2,1-4H3InChIKey
MWPKUBVKTHSIKD-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)77dimethyl5oxo1(5(propan2ylsulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO4(13BENZODIOXOL5YL)77DIMETHYL5OXO1(5PROPAN2YLSULFANYL134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC(C)SC1=NN=C(S1)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CC(C3)(C)C
InChI=1SC24H25N5O3S2c112(2)3323282722(3423)2915824(34)916(30)20(15)19(14(1025)21(29)26)13561718(713)32113117h571219H891126H214H3
MFCD05856990
ZINC000012401683
ZINC000012401684
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