Vitas-M small molecule compound
N~3~-{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]-3-(4-methoxyphenyl)propanoyl}-N-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-beta-alaninamide
Catalog ID
STL561694
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)NCCc1onc(n1)C(C)C
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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 C38H48N4O9 MW 704.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O9/c1-23(2)37-41-33(51-42-37)18-20-39-31(45)17-19-40-32(46)22-29(25-13-15-28(49-4)16-14-25)35-30(44)21-26-10-6-5-7-11-27(43)12-8-9-24(3)50-38(48)34(26)36(35)47/h6,10,13-16,21,23-24,29,44,47H,5,7-9,11-12,17-20,22H2,1-4H3,(H,39,45)(H,40,46)InChIKey
BJXAVOQRVMIVHL-WATSNTRESA-NSynonyms
145705051
3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)N(3oxo3(2(3propan2yl124oxadiazol5yl)ethylamino)propyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3((2(3isopropyl124oxadiazol5yl)ethyl)amino)3oxopropyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)NCCc1onc(n1)C(C)C
InChI=1SC38H48N4O9c123(2)374133(514237)18203931(45)17194032(46)2229(25131528(494)161425)3530(44)2126106571127(43)128924(3)5038(48)34(26)36(35)47h6101316212324294447H5791112172022H214H3(H3945)(H4046)b106+t2429?m0s1
MFCD32650759
N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)N(2(3(propan2yl)124oxadiazol5yl)ethyl)betaalaninamide
ZINC001848442587
ZINC001848442588
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