Vitas-M small molecule compound
(3S,11E)-14-{2-hydroxy-3-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propoxy}-16-methoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL527243
SMILES COc1cc(OCC(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2
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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 C33H42N2O7 MW 578.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O7/c1-22-8-6-11-26(36)10-5-3-4-9-24-15-28(16-30(40-2)32(24)33(39)42-22)41-21-27(37)20-34-17-23-14-25(19-34)29-12-7-13-31(38)35(29)18-23/h4,7,9,12-13,15-16,22-23,25,27,37H,3,5-6,8,10-11,14,17-21H2,1-2H3/b9-4+/t22-,23-,25+,27?/m0/s1InChIKey
KNDXFMROHBVEHB-PKIJSJQDSA-NSynonyms
(3S11E)14(2hydroxy3((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propoxy)16methoxy3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(3SE)14(2hydroxy3((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propoxy)16methoxy3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dionehydrochloride
(4~(S)12~(E))16(2hydroxy3((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)propoxy)18methoxy4methyl3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
16397798
COc1cc(OCC(CN2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)O)cc2c1C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2Cl
InChI=1SC33H42N2O7c122861126(36)105349241528(1630(402)32(24)33(39)4222)412127(37)203417231425(1934)291271331(38)35(29)1823h479121315162223252737H35681011141721H212H3b94+t222325+27?m0s1
MFCD03267305
ZINC001534764163
ZINC001534764182
Check stock
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