Vitas-M small molecule compound
methyl 2-{[(1,3-benzodioxol-5-ylcarbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK843511
SMILES COC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCCC2
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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 C21H22N2O5S2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S2/c1-26-20(25)17-13-6-4-2-3-5-7-16(13)30-19(17)23-21(29)22-18(24)12-8-9-14-15(10-12)28-11-27-14/h8-10H,2-7,11H2,1H3,(H2,22,23,24,29)InChIKey
YVJLGLANLJHTMJ-UHFFFAOYSA-NSynonyms
693239-79-1693239791
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H22N2O5S2c12620(25)171364235716(13)3019(17)2321(29)2218(24)12891415(1012)28112714h810H2711H21H3(H222232429)
methyl2(((13benzodioxol5ylcarbonyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(13benzodioxole5carbonylcarbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(3(benzo(d)(13)dioxole5carbonyl)thioureido)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD03190972
ZINC000002373797
ZINC02373797
ZINC2373797
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