Vitas-M small molecule compound
(3S,11E)-14-(benzyloxy)-16-[2-hydroxy-3-(morpholin-4-yl)propoxy]-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL536762
SMILES OC(CN1CCOCC1)COc1cc(OCc2ccccc2)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 C32H41NO7 MW 551.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41NO7/c1-24-9-8-14-27(34)13-7-3-6-12-26-19-29(38-22-25-10-4-2-5-11-25)20-30(31(26)32(36)40-24)39-23-28(35)21-33-15-17-37-18-16-33/h2,4-6,10-12,19-20,24,28,35H,3,7-9,13-18,21-23H2,1H3/b12-6+/t24-,28?/m0/s1InChIKey
KFWCKUDCAUPUIK-NXAKTBIXSA-NSynonyms
(3S11E)14(benzyloxy)16(2hydroxy3(morpholin4yl)propoxy)3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(3SE)14(benzyloxy)16(2hydroxy3morpholinopropoxy)3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
(4~(S)12~(E))18(2hydroxy3morpholin4ylpropoxy)4methyl16phenylmethoxy3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
16399209
InChI=1SC32H41NO7c124981427(34)1373612261929(382225104251125)2030(31(26)32(36)4024)392328(35)2133151737181633h24610121920242835H37913182123H21H3b126+t2428?m0s1
MFCD04142319
OC(CN1CCOCC1)COc1cc(OCc2ccccc2)cc2c1C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2
ZINC000254485219
ZINC000254485220
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