Vitas-M small molecule compound

1-decyl-2-hydroxy-4-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-1,4-dihydroquinoline-3-carboxamide

Catalog ID
STL039358
SMILES CCCCCCCCCCn1c(O)c(C(=O)/N=c\2/scc([nH]2)C23CC4CC(C3)CC(C2)C4)c(=O)c2c1cccc2

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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 C33H43N3O3S MW 561.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O3S/c1-2-3-4-5-6-7-8-11-14-36-26-13-10-9-12-25(26)29(37)28(31(36)39)30(38)35-32-34-27(21-40-32)33-18-22-15-23(19-33)17-24(16-22)20-33/h9-10,12-13,21-24,39H,2-8,11,14-20H2,1H3,(H,34,35,38)
InChIKey
CLVGOYTWQDGSFZ-UHFFFAOYSA-N
Synonyms

1decyl2hydroxy4oxoN((2E)4(tricyclo(3311~37~)dec1yl)13thiazol2(3H)ylidene)14dihydroquinoline3carboxamide
CCCCCCCCCCn1c(O)c(C(=O)N=c2scc((nH)2)C23CC4CC(C3)CC(C2)C4)c(=O)c2c1cccc2
MFCD04082886
ZINC000097969064

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.