Vitas-M small molecule compound
methyl 3-ethyl-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL134505
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)CC
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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 C16H20N2O4S MW 336.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O4S/c1-5-18-15(23)17-12-9-7-6-8-10(20-3)13(9)22-16(18,2)11(12)14(19)21-4/h6-8,11-12H,5H2,1-4H3,(H,17,23)InChIKey
DIEMYJGTBZSYDH-UHFFFAOYSA-NSynonyms
CCN1C(=S)NC2C(C1(OC3=C2C=CC=C3OC)C)C(=O)OC
InChI=1SC16H20N2O4Sc151815(23)1712976810(203)13(9)2216(182)11(12)14(19)214h681112H5H214H3(H1723)
methyl3ethyl10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD14746272
ZINC000101369026
ZINC000104771122
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