Vitas-M small molecule compound
ethyl 2-{[(phenylcarbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK993855
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)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 C20H22N2O3S2 MW 402.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S2/c1-2-25-19(24)16-14-11-7-4-8-12-15(14)27-18(16)22-20(26)21-17(23)13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H2,21,22,23,26)InChIKey
NKFDORZHCXVADX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=CC=C3
ethyl2(((phenylcarbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(benzoylcarbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H22N2O3S2c122519(24)1614117481215(14)2718(16)2220(26)2117(23)1395361013h356910H24781112H21H3(H221222326)
MFCD02631034
ZINC000000985779
ZINC00985779
ZINC985779
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