Vitas-M small molecule compound
2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK059945
SMILES N#CC1=C(SCc2cc3OCOc3cc2Cl)NC2=C(C1c1cccs1)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 C24H21ClN2O3S2 MW 485.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O3S2/c1-24(2)8-16-22(17(28)9-24)21(20-4-3-5-31-20)14(10-26)23(27-16)32-11-13-6-18-19(7-15(13)25)30-12-29-18/h3-7,21,27H,8-9,11-12H2,1-2H3InChIKey
MIIGYPWBZCIOEA-UHFFFAOYSA-NSynonyms
2(((6chloro13benzodioxol5yl)methyl)sulfanyl)77dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2((6chloro13benzodioxol5yl)methylsulfanyl)77dimethyl5oxo4thiophen2yl1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N)C5=CC=CS5)C(=O)C1)C
InChI=1SC24H21ClN2O3S2c124(2)81622(17(28)924)21(204353120)14(1026)23(2716)32111361819(715(13)25)30122918h372127H891112H212H3
MFCD03268821
N#CC1=C(SCc2cc3OCOc3cc2Cl)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C
STK059945
ZINC000000724049
ZINC000009553458
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