Vitas-M small molecule compound
Nalpha-{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-(3,4,5-trimethoxyphenyl)propanoyl}-L-phenylalaninamide
Catalog ID
STL551963
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@H](C(=O)N)Cc1ccccc1
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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 C39H46N2O10 MW 702.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H46N2O10/c1-23-12-11-17-27(42)16-10-6-9-15-25-19-30(43)35(36(45)34(25)39(47)51-23)28(26-20-31(48-2)37(50-4)32(21-26)49-3)22-33(44)41-29(38(40)46)18-24-13-7-5-8-14-24/h5,7-9,13-15,19-21,23,28-29,43,45H,6,10-12,16-18,22H2,1-4H3,(H2,40,46)(H,41,4InChIKey
OZJOEXIKROLTCA-FTFSLTPOSA-NSynonyms
(2~(S))2((3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanoyl)amino)3phenylpropanamide
135640280
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(C(=O)N)Cc1ccccc1
InChI=1SC39H46N2O10c12312111727(42)16106915251930(43)35(36(45)34(25)39(47)5123)28(262031(482)37(504)32(2126)493)2233(44)4129(38(40)46)1824137581424h579131519212328294345H61012161822H214H3(H24046)(H4144)b159+t2328?29m0s1
N((S)1amino1oxo3phenylpropan2yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
Nalpha(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanoyl)Lphenylalaninamide
ZINC001547139381
ZINC001547139382
Check stock
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