Vitas-M small molecule compound

ethyl (7Z)-7-{[(phenylcarbonyl)oxy]imino}-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK280178
SMILES CCOC(=O)c1c2CCC/C(=N/OC(=O)c3ccccc3)/c2sc1n1cccc1

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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-2-27-22(26)18-16-11-8-12-17(19(16)29-20(18)24-13-6-7-14-24)23-28-21(25)15-9-4-3-5-10-15/h3-7,9-10,13-14H,2,8,11-12H2,1H3/b23-17-
InChIKey
FFEANUWJIKBYHE-QJOMJCCJSA-N
Synonyms
328287-79-2
328287792
CCOC(=O)C1=C(SC2=C1CCCC2=NOC(=O)C3=CC=CC=C3)N4C=CC=C4
CCOC(=O)c1c2CCCC(=NOC(=O)c3ccccc3)c2sc1n1cccc1
ethyl(7Z)7(((phenylcarbonyl)oxy)imino)2(1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
ETHYL(7Z)7BENZOYLOXYIMINO2PYRROL1YL56DIHYDRO4H1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC22H20N2O4Sc122722(26)18161181217(19(16)2920(18)2413671424)232821(25)1594351015h379101314H281112H21H3b2317
MFCD00756790
ZINC000017903329
ZINC00978631
ZINC978631

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Available files

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