Vitas-M small molecule compound

ethyl 4-{[(2-{[(E)-pyridin-3-ylmethylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)carbonyl]amino}benzoate

Catalog ID
STK188363
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1c(/N=C/c2cccnc2)sc2c1CCCCC2

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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-2-31-25(30)18-10-12-19(13-11-18)28-23(29)22-20-8-4-3-5-9-21(20)32-24(22)27-16-17-7-6-14-26-15-17/h6-7,10-16H,2-5,8-9H2,1H3,(H,28,29)/b27-16+
InChIKey
AZXGPZNTHBRUJB-JVWAILMASA-N
Synonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)N=CC4=CN=CC=C4
CCOC(=O)c1ccc(cc1)NC(=O)c1c(N=Cc2cccnc2)sc2c1CCCCC2
ethyl4(((2(((E)pyridin3ylmethylidene)amino)5678tetrahydro4Hcyclohepta(b)thiophen3yl)carbonyl)amino)benzoate
ethyl4((2((E)pyridin3ylmethylideneamino)5678tetrahydro4Hcyclohepta(b)thiophene3carbonyl)amino)benzoate
Registry IDs
MFCD03616463
ZINC000101154136

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Available files

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