Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)propanamide
Catalog ID
STL561755
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NC1CCc2c(N=C1O)cccc2
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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 C38H40N2O9 MW 668.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40N2O9/c1-22-8-7-12-26(41)11-4-2-3-10-25-18-30(42)35(36(44)34(25)38(46)49-22)27(24-15-17-31-32(19-24)48-21-47-31)20-33(43)39-29-16-14-23-9-5-6-13-28(23)40-37(29)45/h3,5-6,9-10,13,15,17-19,22,27,29,42,44H,2,4,7-8,11-12,14,16,20-21H2,1H3,(H,39,InChIKey
XQCJFUAGGZPVSG-BAYLHSEMSA-NSynonyms
145705111
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2hydroxy45dihydro3H1benzazepin3yl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2oxo1345tetrahydro1benzazepin3yl)propanamide
InChI=1SC38H40N2O9c122871226(41)1142310251830(42)35(36(44)34(25)38(46)4922)27(2415173132(1924)48214731)2033(43)39291614239561328(23)4037(29)45h356910131517192227294244H2478111214162021H21H3(H3943)(H4045)b103+t2227?29?m0s1
MFCD32650820
ZINC001848443156
ZINC001848443159
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