Vitas-M small molecule compound

ethyl 2-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STL384269
SMILES CCOC(=O)c1c(NC(=O)c2ccc(o2)Cn2ncc(c2)Cl)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 C21H22ClN3O4S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4S/c1-2-28-21(27)18-15-6-4-3-5-7-17(15)30-20(18)24-19(26)16-9-8-14(29-16)12-25-11-13(22)10-23-25/h8-11H,2-7,12H2,1H3,(H,24,26)
InChIKey
OXIAKLAIGOIMLK-UHFFFAOYSA-N
Synonyms
494217-78-6
494217786
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl
ethyl2(((5((4chloro1Hpyrazol1yl)methyl)furan2yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((5((4chloropyrazol1yl)methyl)furan2carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC21H22ClN3O4Sc122821(27)18156435717(15)3020(18)2419(26)169814(2916)12251113(22)102325h811H2712H21H3(H2426)
MFCD02374238
ZINC000000649415
ZINC00649415
ZINC649415

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Available files

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