Vitas-M small molecule compound

ethyl 2-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate

Catalog ID
STK455822
SMILES CCOC(=O)c1c(NC(=S)N2CCC3(CC2)OCCO3)sc(c1c1ccccc1)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 C22H26N2O4S2 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S2/c1-3-26-20(25)18-17(16-7-5-4-6-8-16)15(2)30-19(18)23-21(29)24-11-9-22(10-12-24)27-13-14-28-22/h4-8H,3,9-14H2,1-2H3,(H,23,29)
InChIKey
FVJFLMGJFQTXMD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC4(CC3)OCCO4
ETHYL2(((14DIOXA8AZASPIRO(45)DEC8YL)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
ethyl2((14dioxa8azaspiro(45)dec8ylcarbonothioyl)amino)5methyl4phenylthiophene3carboxylate
ETHYL2((14DIOXA8AZASPIRO(45)DEC8YLCARBOTHIOYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2(14DIOXA8AZASPIRO(45)DECANE8CARBOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H26N2O4S2c132620(25)1817(167546816)15(2)3019(18)2321(29)2411922(101224)2713142822h48H3914H212H3(H2329)
MFCD04136869
ZINC000002853250
ZINC02853250
ZINC2853250

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Available files

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