Vitas-M small molecule compound
ethyl 2-({[(3,4-difluorophenyl)carbonyl]carbamothioyl}amino)-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate
Catalog ID
STK546927
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c(c2)F)F)[nH]c2c1CCCCC2
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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 C20H21F2N3O3S MW 421.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F2N3O3S/c1-2-28-19(27)16-12-6-4-3-5-7-15(12)23-17(16)24-20(29)25-18(26)11-8-9-13(21)14(22)10-11/h8-10,23H,2-7H2,1H3,(H2,24,25,26,29)InChIKey
QGMAUEHSYMLSKH-UHFFFAOYSA-NSynonyms
488861-44-5488861445
CCOC(=O)C1=C(NC2=C1CCCCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)F)F
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c(c2)F)F)(nH)c2c1CCCCC2
ethyl2((((34difluorophenyl)carbonyl)carbamothioyl)amino)145678hexahydrocyclohepta(b)pyrrole3carboxylate
ethyl2((34difluorobenzoyl)carbamothioylamino)145678hexahydrocyclohepta(b)pyrrole3carboxylate
ethyl2(3(34difluorobenzoyl)thioureido)145678hexahydrocyclohepta(b)pyrrole3carboxylate
InChI=1SC20H21F2N3O3Sc122819(27)16126435715(12)2317(16)2420(29)2518(26)118913(21)14(22)1011h81023H27H21H3(H224252629)
MFCD03295347
ZINC000002227153
ZINC02227153
ZINC2227153
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