Vitas-M small molecule compound
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Catalog ID
STL175877
SMILES N#Cc1c(N)nc2c(c1c1cc(CSc3ccc(cc3)Cl)c(cc1C)C)CCCCCC2
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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 C27H28ClN3S MW 462.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3S/c1-17-13-18(2)23(14-19(17)16-32-21-11-9-20(28)10-12-21)26-22-7-5-3-4-6-8-25(22)31-27(30)24(26)15-29/h9-14H,3-8,16H2,1-2H3,(H2,30,31)InChIKey
RXJUJPNIVMTEDQ-UHFFFAOYSA-NSynonyms
438228-44-52amino4(5(((4chlorophenyl)sulfanyl)methyl)24dimethylphenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
2amino4(5((4chlorophenyl)sulfanylmethyl)24dimethylphenyl)5678910hexahydrocycloocta(b)pyridine3carbonitrile
438228445
CC1=CC(=C(C=C1C2=C(C(=NC3=C2CCCCCC3)N)C#N)CSC4=CC=C(C=C4)Cl)C
InChI=1SC27H28ClN3Sc1171318(2)23(1419(17)16322111920(28)101221)262275346825(22)3127(30)24(26)1529h914H3816H212H3(H23031)
MFCD03075117
ZINC000019841860
ZINC19841860
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