Vitas-M small molecule compound
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-{6-oxo-6-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]hexyl}-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL551827
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C47H59N3O11 MW 842.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H59N3O11/c1-29-13-11-16-34(51)15-8-5-7-14-31-22-37(52)44(45(56)43(31)47(57)61-29)35(32-23-38(58-2)46(60-4)39(24-32)59-3)25-40(53)48-20-10-6-9-18-41(54)49-26-30-21-33(28-49)36-17-12-19-42(55)50(36)27-30/h7,12,14,17,19,22-24,29-30,33,35,52,56H,5InChIKey
BVAKAKMJVJLUNX-YYWMXLSKSA-NSynonyms
135640165
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(6oxo6((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)hexyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(6oxo6((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)hexyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC47H59N3O11c12913111634(51)1585714312237(52)44(45(56)43(31)47(57)6129)35(322338(582)46(604)39(2432)593)2540(53)482010691841(54)4926302133(2849)3617121942(55)50(36)2730h7121417192224293033355256H568111315161820212528H214H3(H4853)b147+t2930+333
ZINC001547138526
ZINC001547138527
Check stock
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