Vitas-M small molecule compound
propan-2-yl 2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STK957608
SMILES CC(OC(=O)C1C2NC(=S)NC1(C)Oc1c2cccc1)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 C15H18N2O3S MW 306.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N2O3S/c1-8(2)19-13(18)11-12-9-6-4-5-7-10(9)20-15(11,3)17-14(21)16-12/h4-8,11-12H,1-3H3,(H2,16,17,21)InChIKey
XPIMPAKFPWKGIR-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1C2C3=CC=CC=C3OC1(NC(=S)N2)C
InChI=1SC15H18N2O3Sc18(2)1913(18)11129645710(9)2015(113)1714(21)1612h481112H13H3(H2161721)
MFCD15147836
propan2yl2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
ZINC000002095889
ZINC000002095891
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