Vitas-M small molecule compound
(7S,10E)-7-(acetylamino)-1,2,3-trimethoxy-10-[(1-phenylethyl)iminio]-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Catalog ID
STL528466
SMILES COc1c2c(CC[C@@H](c3c2cc/c(=[NH+]\C(c2ccccc2)C)/c(c3)[O-])NC(=O)C)cc(c1OC)OC
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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 C29H32N2O5 MW 488.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5/c1-17(19-9-7-6-8-10-19)30-24-14-12-21-22(16-25(24)33)23(31-18(2)32)13-11-20-15-26(34-3)28(35-4)29(36-5)27(20)21/h6-10,12,14-17,23H,11,13H2,1-5H3,(H,30,33)(H,31,32)/t17?,23-/m0/s1InChIKey
RUGSZALTZPZDGP-VXLWULRPSA-NSynonyms
450369-18-3(7S10E)7(acetylamino)123trimethoxy10((1phenylethyl)iminio)56710tetrahydrobenzo(a)heptalen9olate
~(N)((7~(S))123trimethoxy9oxo10(1phenylethylamino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
16397431
450369183
InChI=1SC29H32N2O5c117(1997681019)302414122122(1625(24)33)23(3118(2)32)1311201526(343)28(354)29(365)27(20)21h61012141723H1113H215H3(H3033)(H3132)t17?23m0s1
ZINC000012660547
ZINC000012660548
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