Vitas-M small molecule compound
ethyl 2-{[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL360616
SMILES CCOC(=O)c1c(N/C=C/2\Sc3c(C2=O)cccc3)sc2c1CCCCC2
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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 C21H21NO3S2 MW 399.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3S2/c1-2-25-21(24)18-13-8-4-3-5-10-15(13)27-20(18)22-12-17-19(23)14-9-6-7-11-16(14)26-17/h6-7,9,11-12,22H,2-5,8,10H2,1H3/b17-12-InChIKey
DRCKHGWUXLNEPJ-ATVHPVEESA-NSynonyms
342381-90-2(Z)ethyl2(((3oxobenzo(b)thiophen2(3H)ylidene)methyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
342381902
CCOC(=O)C1=C(SC2=C1CCCCC2)NC=C3C(=O)C4=CC=CC=C4S3
CCOC(=O)c1c(NC=C2Sc3c(C2=O)cccc3)sc2c1CCCCC2
ethyl2(((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(((Z)(3oxo1benzothiophen2ylidene)methyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC21H21NO3S2c122521(24)181384351015(13)2720(18)22121719(23)149671116(14)2617h679111222H25810H21H3b1712
MFCD03251310
ZINC000100981980
ZINC100981980
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