Vitas-M small molecule compound
methyl 2-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK457533
SMILES COC(=O)c1c(NC(=S)Nc2ccc3c(c2)OCCO3)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 C21H24N2O4S2 MW 432.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S2/c1-25-20(24)18-14-6-4-2-3-5-7-17(14)29-19(18)23-21(28)22-13-8-9-15-16(12-13)27-11-10-26-15/h8-9,12H,2-7,10-11H2,1H3,(H2,22,23,28)InChIKey
FPHAAVBURBLOBH-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC4=C(C=C3)OCCO4
InChI=1SC21H24N2O4S2c12520(24)181464235717(14)2919(18)2321(28)2213891516(1213)2711102615h8912H271011H21H3(H2222328)
methyl2((23dihydro14benzodioxin6ylcarbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2(23dihydro14benzodioxin6ylcarbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD05066148
ZINC000016346436
ZINC16346436
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