Vitas-M small molecule compound
ethyl 2-{[1-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL360588
SMILES CCOC(=O)c1c(sc2c1CCCC2)N/C(=C/1\C(=O)c2c(C1=O)cccc2)/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 C22H21NO4S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S/c1-3-27-22(26)18-15-10-6-7-11-16(15)28-21(18)23-12(2)17-19(24)13-8-4-5-9-14(13)20(17)25/h4-5,8-9,23H,3,6-7,10-11H2,1-2H3InChIKey
VMFCRPWMQXAVCT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=C3C(=O)C4=CC=CC=C4C3=O)C
CCOC(=O)c1c(sc2c1CCCC2)NC(=C1C(=O)c2c(C1=O)cccc2)C
ethyl2((1(13dioxo13dihydro2Hinden2ylidene)ethyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1(13dioxo1Hinden2(3H)ylidene)ethyl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
ethyl2(1(13dioxoinden2ylidene)ethylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H21NO4Sc132722(26)181510671116(15)2821(18)2312(2)1719(24)13845914(13)20(17)25h458923H3671011H212H3
MFCD00349808
ZINC000000971162
ZINC00971162
ZINC971162
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