Vitas-M small molecule compound
N-(1-azabicyclo[2.2.2]oct-3-yl)-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]propanamide
Catalog ID
STL561809
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NC1CN2CCC1CC2
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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 C35H42N2O8 MW 618.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N2O8/c1-21-6-5-9-25(38)8-4-2-3-7-24-16-28(39)33(34(41)32(24)35(42)45-21)26(23-10-11-29-30(17-23)44-20-43-29)18-31(40)36-27-19-37-14-12-22(27)13-15-37/h3,7,10-11,16-17,21-22,26-27,39,41H,2,4-6,8-9,12-15,18-20H2,1H3,(H,36,40)/b7-3+/t21-,26?,2InChIKey
BNCUESADOKJWIC-SABJAVDNSA-NSynonyms
145705164
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(quinuclidin3yl)propanamide
InChI=1SC35H42N2O8c12165925(38)84237241628(39)33(34(41)32(24)35(42)4521)26(2310112930(1723)44204329)1831(40)36271937141222(27)131537h3710111617212226273941H2468912151820H21H3(H3640)b73+t2126?27?m0s1
MFCD32650872
N(1azabicyclo(222)oct3yl)3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)propanamide
N(1azabicyclo(222)octan3yl)3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)propanamide
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NC1CN2CCC1CC2
ZINC001848442590
ZINC001848442593
Check stock
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