Vitas-M small molecule compound
4-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}benzoic acid
Catalog ID
STL003630
SMILES N#Cc1cc2CCCCCCc2nc1SCc1ccc(cc1)C(=O)O
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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 C20H20N2O2S MW 352.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O2S/c21-12-17-11-16-5-3-1-2-4-6-18(16)22-19(17)25-13-14-7-9-15(10-8-14)20(23)24/h7-11H,1-6,13H2,(H,23,24)InChIKey
JAYXHWXPWFDLAB-UHFFFAOYSA-NSynonyms
497243-86-44(((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)methyl)benzoicacid
4(((3cyano5678910hexahydrocycloocta(b)pyridin2yl)thio)methyl)benzoicacid
4((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanylmethyl)benzoicacid
497243864
C1CCCC2=C(CC1)C=C(C(=N2)SCC3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC20H20N2O2Sc211217111653124618(16)2219(17)2513147915(10814)20(23)24h711H1613H2(H2324)
MFCD03300281
ZINC000000663430
ZINC663430
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