Vitas-M small molecule compound
ethyl 2-({[(4-fluorophenyl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK840511
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)F)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 C20H21FN2O3S2 MW 420.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN2O3S2/c1-2-26-19(25)16-14-6-4-3-5-7-15(14)28-18(16)23-20(27)22-17(24)12-8-10-13(21)11-9-12/h8-11H,2-7H2,1H3,(H2,22,23,24,27)InChIKey
SGIOPCGMAWWYHQ-UHFFFAOYSA-NSynonyms
370575-48-7370575487
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)F
ethyl2((((4fluorophenyl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((4fluorobenzoyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(3(4fluorobenzoyl)thioureido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H21FN2O3S2c122619(25)16146435715(14)2818(16)2320(27)2217(24)1281013(21)11912h811H27H21H3(H222232427)
MFCD01605094
ZINC000002316580
ZINC02316580
ZINC2316580
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