Vitas-M small molecule compound

methyl 2-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)amino]-5-methylthiophene-3-carboxylate

Catalog ID
STK459959
SMILES COC(=O)c1cc(sc1NC(=S)Nc1ccc2c(c1)OCCO2)C

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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 C16H16N2O4S2 MW 364.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O4S2/c1-9-7-11(15(19)20-2)14(24-9)18-16(23)17-10-3-4-12-13(8-10)22-6-5-21-12/h3-4,7-8H,5-6H2,1-2H3,(H2,17,18,23)
InChIKey
KNQRQVIUHGCKRU-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)OC
InChI=1SC16H16N2O4S2c19711(15(19)202)14(249)1816(23)1710341213(810)22652112h3478H56H212H3(H2171823)
METHYL2(((2H3HBENZO(34E)14DIOXAN6YLAMINO)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl2((23dihydro14benzodioxin6ylcarbamothioyl)amino)5methylthiophene3carboxylate
methyl2(23dihydro14benzodioxin6ylcarbamothioylamino)5methylthiophene3carboxylate
MFCD04280083
ZINC000006962625
ZINC06962625
ZINC6962625

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.