Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094391
SMILES CCOc1cccc2c1OC1(C)CC2NC(=S)N1Cc1ccc2c(c1)OCO2
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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/c1-3-24-17-6-4-5-14-15-10-21(2,27-19(14)17)23(20(28)22-15)11-13-7-8-16-18(9-13)26-12-25-16/h4-9,15H,3,10-12H2,1-2H3,(H,22,28)InChIKey
PXJYIZYNKREODQ-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)10ethoxy2methyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CCOC1=CC=CC2=C1OC3(CC2NC(=S)N3CC4=CC5=C(C=C4)OCO5)C
InChI=1SC21H22N2O4Sc13241764514151021(22719(14)17)23(20(28)2215)1113781618(913)26122516h4915H31012H212H3(H2228)
MFCD18788137
ZINC000100032129
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