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](3,4,5-trimethoxyphenyl)methanone
Catalog ID
STL192577
SMILES COc1cc(cc(c1OC)OC)C(=O)N1C2CC(N(C1=S)c1cccc(c1)C)(C)Oc1c2cccc1OC
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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 C29H30N2O6S MW 534.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6S/c1-17-9-7-10-19(13-17)31-28(38)30(27(32)18-14-23(34-4)26(36-6)24(15-18)35-5)21-16-29(31,2)37-25-20(21)11-8-12-22(25)33-3/h7-15,21H,16H2,1-6H3InChIKey
BKSSVWLRNBEFKY-UHFFFAOYSA-NSynonyms
(10methoxy2methyl3(3methylphenyl)4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(345trimethoxyphenyl)methanone
CC1=CC(=CC=C1)N2C(=S)N(C3CC2(OC4=C3C=CC=C4OC)C)C(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC29H30N2O6Sc117971019(1317)3128(38)30(27(32)181423(344)26(366)24(1518)355)211629(312)372520(21)1181222(25)333h71521H16H216H3
MFCD14741425
ZINC000100033685
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