Vitas-M small molecule compound

methyl (2E)-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylacetyl)imino]-4-(2-methoxy-2-oxoethyl)-2,3-dihydro-1,3-thiazole-5-carboxylate

Catalog ID
STL162185
SMILES COC(=O)c1s/c(=N/C(=O)Cc2ccc3c(c2)OCCCO3)/[nH]c1CC(=O)OC

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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 C19H20N2O7S MW 420.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O7S/c1-25-16(23)10-12-17(18(24)26-2)29-19(20-12)21-15(22)9-11-4-5-13-14(8-11)28-7-3-6-27-13/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,21,22)
InChIKey
NIGDRXWXQOGDQZ-UHFFFAOYSA-N
Synonyms
1282102-02-6
1282102026
COC(=O)c1sc(=NC(=O)Cc2ccc3c(c2)OCCCO3)(nH)c1CC(=O)OC
COC(=O)CC1=C(SC(=N1)NC(=O)CC2=CC3=C(C=C2)OCCCO3)C(=O)OC
InChI=1SC19H20N2O7Sc12516(23)101217(18(24)262)2919(2012)2115(22)911451314(811)287362713h458H367910H212H3(H202122)
methyl(2E)2((34dihydro2H15benzodioxepin7ylacetyl)imino)4(2methoxy2oxoethyl)23dihydro13thiazole5carboxylate
methyl2((2(34dihydro2H15benzodioxepin7yl)acetyl)amino)4(2methoxy2oxoethyl)13thiazole5carboxylate
MFCD20759604
ZINC000061718461
ZINC61718461

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Available files

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