Vitas-M small molecule compound

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-({[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]amino}oxy)acetamide

Catalog ID
STK071836
SMILES COc1cc(ccc1OC)/C(=N/OCC(=O)Nc1sc2c(c1C#N)CCCCC2)/C

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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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-14(15-9-10-18(27-2)19(11-15)28-3)25-29-13-21(26)24-22-17(12-23)16-7-5-4-6-8-20(16)30-22/h9-11H,4-8,13H2,1-3H3,(H,24,26)/b25-14+
InChIKey
YHHVLRYSAUONNT-AFUMVMLFSA-N
Synonyms
381177-10-2
(E)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(((1(34dimethoxyphenyl)ethylidene)amino)oxy)acetamide
381177102
CC(=NOCC(=O)NC1=C(C2=C(S1)CCCCC2)C#N)C3=CC(=C(C=C3)OC)OC
COc1cc(ccc1OC)C(=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2)C
InChI=1SC22H25N3O4Sc114(1591018(272)19(1115)283)25291321(26)242217(1223)167546820(16)3022h911H4813H213H3(H2426)b2514+
MFCD02993241
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2((((1E)1(34dimethoxyphenyl)ethylidene)amino)oxy)acetamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2((E)1(34dimethoxyphenyl)ethylideneamino)oxyacetamide
STK071836
ZINC000009354842
ZINC34736848

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Available files

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