Vitas-M small molecule compound
methyl 10-methoxy-2-methyl-3-(3-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094733
SMILES COC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1cccc(c1)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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-12-7-5-8-13(11-12)23-20(28)22-17-14-9-6-10-15(25-3)18(14)27-21(23,2)16(17)19(24)26-4/h5-11,16-17H,1-4H3,(H,22,28)InChIKey
JOTFXLKAYIOQAY-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)N2C(=S)NC3C(C2(OC4=C3C=CC=C4OC)C)C(=O)OC
InChI=1SC21H22N2O4Sc11275813(1112)2320(28)221714961015(253)18(14)2721(232)16(17)19(24)264h5111617H14H3(H2228)
methyl10methoxy2methyl3(3methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD18788176
ZINC000102906925
ZINC000106550041
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