Vitas-M small molecule compound
methyl 10-methoxy-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094732
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1ccccc1
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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 C20H20N2O4S MW 384.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S/c1-20-15(18(23)25-3)16(13-10-7-11-14(24-2)17(13)26-20)21-19(27)22(20)12-8-5-4-6-9-12/h4-11,15-16H,1-3H3,(H,21,27)InChIKey
NVEYRZXSPQIQOH-UHFFFAOYSA-NSynonyms
CC12C(C(C3=C(O1)C(=CC=C3)OC)NC(=S)N2C4=CC=CC=C4)C(=O)OC
InChI=1SC20H20N2O4Sc12015(18(23)253)16(131071114(242)17(13)2620)2119(27)22(20)128546912h4111516H13H3(H2127)
methyl10methoxy2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD18788175
ZINC000106550036
ZINC000106550037
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