Vitas-M small molecule compound
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Catalog ID
STL000837
SMILES COc1ccc(cc1)NC(=O)CSc1nc2CCCCCCc2cc1C#N
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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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-26-18-10-8-17(9-11-18)23-20(25)14-27-21-16(13-22)12-15-6-4-2-3-5-7-19(15)24-21/h8-12H,2-7,14H2,1H3,(H,23,25)InChIKey
RXHJDZOMCLAAKZ-UHFFFAOYSA-NSynonyms
444160-96-72((3cyano5678910hexahydrocycloocta(b)pyridin2yl)sulfanyl)N(4methoxyphenyl)acetamide
2((3cyano5678910hexahydrocycloocta(b)pyridin2yl)thio)N(4methoxyphenyl)acetamide
444160967
COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(CCCCCC3)C=C2C#N
InChI=1SC21H23N3O2Sc1261810817(91118)2320(25)14272116(1322)121564235719(15)2421h812H2714H21H3(H2325)
MFCD03298719
ZINC000000663341
ZINC00663341
ZINC663341
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