Vitas-M small molecule compound
[10-methoxy-2-methyl-3-(3-methylphenyl)-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](2-methoxyphenyl)methanone
Catalog ID
STL141971
SMILES COc1cccc2c1OC1(C)CC2N(C(=S)N1c1cccc(c1)C)C(=O)c1ccccc1OC
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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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-17-9-7-10-18(15-17)29-26(34)28(25(30)20-11-5-6-13-22(20)31-3)21-16-27(29,2)33-24-19(21)12-8-14-23(24)32-4/h5-15,21H,16H2,1-4H3InChIKey
JLZBCKNIPLCSML-UHFFFAOYSA-NSynonyms
(10methoxy2methyl3(3methylphenyl)4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(2methoxyphenyl)methanone
CC1=CC(=CC=C1)N2C(=S)N(C3CC2(OC4=C3C=CC=C4OC)C)C(=O)C5=CC=CC=C5OC
InChI=1SC27H26N2O4Sc117971018(1517)2926(34)28(25(30)2011561322(20)313)211627(292)332419(21)1281423(24)324h51521H16H214H3
MFCD14741457
ZINC000100034281
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