Vitas-M small molecule compound

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

Catalog ID
STK478957
SMILES COC(=O)c1c(scc1c1ccccc1)NC(=O)CN1CCC2(CC1)OCCO2

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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 C21H24N2O5S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S/c1-26-20(25)18-16(15-5-3-2-4-6-15)14-29-19(18)22-17(24)13-23-9-7-21(8-10-23)27-11-12-28-21/h2-6,14H,7-13H2,1H3,(H,22,24)
InChIKey
MLNWDLFBROZSAK-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCC4(CC3)OCCO4
InChI=1SC21H24N2O5Sc12620(25)1816(155324615)142919(18)2217(24)13239721(81023)2711122821h2614H713H21H3(H2224)
methyl2((14dioxa8azaspiro(45)dec8ylacetyl)amino)4phenylthiophene3carboxylate
METHYL2((2(14DIOXA8AZASPIRO(45)DECAN8YL)ACETYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
METHYL2(2(14DIOXA8AZASPIRO(45)DEC8YL)ACETYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
MFCD06056048
ZINC000006731392
ZINC6731392

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Available files

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