Vitas-M small molecule compound
(16E)-5-hydroxy-8-methyl-4-(quinolin-6-yl)-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL539374
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1ccc2c(c1)cccn2
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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 C30H29NO6 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO6/c1-18-7-5-11-22(32)10-4-2-3-8-21-16-25-28(29(34)27(21)30(35)36-18)23(17-26(33)37-25)19-12-13-24-20(15-19)9-6-14-31-24/h3,6,8-9,12-16,18,23,34H,2,4-5,7,10-11,17H2,1H3/b8-3+InChIKey
ANCJBVFGWXAAGZ-FPYGCLRLSA-NSynonyms
(12~(E))22hydroxy4methyl20quinolin6yl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(quinolin6yl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy8methyl4(quinolin6yl)348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753892
InChI=1SC30H29NO6c118751122(32)10423821162528(29(34)27(21)30(35)3618)23(1726(33)3725)1912132420(1519)96143124h36891216182334H2457101117H21H3b83+
MFCD22574406
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1ccc2c(c1)cccn2
ZINC000254845277
ZINC000254845291
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