Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-({[(1E)-1-(4-methoxyphenyl)ethylidene]amino}oxy)acetamide
Catalog ID
STK860085
SMILES COc1ccc(cc1)/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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-14(15-8-10-16(26-2)11-9-15)24-27-13-20(25)23-21-18(12-22)17-6-4-3-5-7-19(17)28-21/h8-11H,3-7,13H2,1-2H3,(H,23,25)/b24-14+InChIKey
XCGNSCVQZBPAQY-ZVHZXABRSA-NSynonyms
579439-65-9(E)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(((1(4methoxyphenyl)ethylidene)amino)oxy)acetamide
579439659
CC(=NOCC(=O)NC1=C(C2=C(S1)CCCCC2)C#N)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2)C
InChI=1SC21H23N3O3Sc114(1581016(262)11915)24271320(25)232118(1222)176435719(17)2821h811H3713H212H3(H2325)b2414+
MFCD03869259
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2((((1E)1(4methoxyphenyl)ethylidene)amino)oxy)acetamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2((E)1(4methoxyphenyl)ethylideneamino)oxyacetamide
ZINC000013757676
ZINC4204824
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