Vitas-M small molecule compound
9a'-hydroxy-1'-oxo-1',2',5a',6',7',8',9',9a'-octahydrospiro[cyclohexane-1,3'-pyrido[2,1-b][1,3]benzothiazole]-2',4'-dicarbonitrile
Catalog ID
STK709573
SMILES N#CC1=C2SC3C(N2C(=O)C(C21CCCCC2)C#N)(O)CCCC3
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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 C18H21N3O2S MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O2S/c19-10-12-15(22)21-16(24-14-6-2-5-9-18(14,21)23)13(11-20)17(12)7-3-1-4-8-17/h12,14,23H,1-9H2InChIKey
WEZAFGUZTDLBAS-UHFFFAOYSA-NSynonyms
9ahydroxy1oxo125a67899aoctahydrospiro(cyclohexane13pyrido(21b)(13)benzothiazole)24dicarbonitrile
9ahydroxy1oxospiro(25a6789hexahydrobenzo(12)(13)thiazolo(34a)pyridine31cyclohexane)24dicarbonitrile
C1CCC2(CC1)C(C(=O)N3C(=C2C#N)SC4C3(CCCC4)O)C#N
InChI=1SC18H21N3O2Sc19101215(22)2116(2414625918(1421)23)13(1120)17(12)7314817h121423H19H2
MFCD02647569
ZINC000000128368
ZINC000170622665
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