Vitas-M small molecule compound
(7S,10E)-10-(butyliminio)-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Catalog ID
STL528399
SMILES CCCC/[NH+]=c/1\ccc2c(cc1[O-])[C@H](CCc1c2c(OC)c(c(c1)OC)OC)N(Cc1ccccc1O)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 C31H38N2O5 MW 518.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O5/c1-6-7-16-32-24-14-13-22-23(18-27(24)35)25(33(2)19-21-10-8-9-11-26(21)34)15-12-20-17-28(36-3)30(37-4)31(38-5)29(20)22/h8-11,13-14,17-18,25,34H,6-7,12,15-16,19H2,1-5H3,(H,32,35)/t25-/m0/s1InChIKey
XRBZZHNXVCAUGZ-VWLOTQADSA-NSynonyms
1214632-48-0(7~(S))10(butylamino)7((2hydroxyphenyl)methylmethylamino)123trimethoxy67dihydro5~(H)benzo(a)heptalen9one
(7S)10(BUTYLAMINO)7((2HYDROXYPHENYL)METHYLMETHYLAMINO)123TRIMETHOXY67DIHYDRO5HBENZO(A)HEPTALEN9ONE
(7S10E)10(butyliminio)7((2hydroxybenzyl)(methyl)amino)123trimethoxy56710tetrahydrobenzo(a)heptalen9olate
1214632480
6348285
InChI=1SC31H38N2O5c16716322414132223(1827(24)35)25(33(2)192110891126(21)34)1512201728(363)30(374)31(385)29(20)22h811131417182534H6712151619H215H3(H3235)t25m0s1
ZINC000025073411
ZINC25073411
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