Vitas-M small molecule compound
ethyl 10-ethoxy-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092806
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cccc1OCC)C(=O)OCC
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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 C20H28N2O5S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O5S/c1-5-25-14-10-7-9-13-16-15(18(23)26-6-2)20(3,27-17(13)14)22(19(28)21-16)11-8-12-24-4/h7,9-10,15-16H,5-6,8,11-12H2,1-4H3,(H,21,28)InChIKey
BLQZOBZQCXZEKS-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3CCCOC)C(=O)OCC)C
ethyl10ethoxy3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC20H28N2O5Sc1525141079131615(18(23)2662)20(32717(13)14)22(19(28)2116)11812244h79101516H5681112H214H3(H2128)
MFCD04422312
ZINC000169398143
ZINC000169398146
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