Vitas-M small molecule compound
ethyl 2-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK968594
SMILES CCOC(=O)c1c(NC(=S)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 C22H23ClN4O4S2 MW 507.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O4S2/c1-2-30-21(29)18-15-6-4-3-5-7-17(15)33-20(18)26-22(32)25-19(28)16-9-8-14(31-16)12-27-11-13(23)10-24-27/h8-11H,2-7,12H2,1H3,(H2,25,26,28,32)InChIKey
ZYZFHTVFZOJSFO-UHFFFAOYSA-NSynonyms
494217-89-9494217899
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl
ethyl2((((5((4chloro1Hpyrazol1yl)methyl)furan2yl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((5((4chloropyrazol1yl)methyl)furan2carbonyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC22H23ClN4O4S2c123021(29)18156435717(15)3320(18)2622(32)2519(28)169814(3116)12271113(23)102427h811H2712H21H3(H225262832)
MFCD02608799
ZINC000002108596
ZINC02108596
ZINC2108596
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