Vitas-M small molecule compound

propan-2-yl 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK431902
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1c(C)noc1C

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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 C20H26N2O4S MW 390.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O4S/c1-6-13-7-8-14-15(9-13)27-19(17(14)20(24)25-10(2)3)21-18(23)16-11(4)22-26-12(16)5/h10,13H,6-9H2,1-5H3,(H,21,23)
InChIKey
MGPNLNKDZNMOQW-UHFFFAOYSA-N
Synonyms

CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=C(ON=C3C)C
InChI=1SC20H26N2O4Sc1613781415(913)2719(17(14)20(24)2510(2)3)2118(23)1611(4)222612(16)5h1013H69H215H3(H2123)
MFCD03074908
propan2yl2(((35dimethyl12oxazol4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
propan2yl2((35dimethyl12oxazole4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002749566
ZINC000002749567

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Available files

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