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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-[3-(1,3-thiazol-2-yl)benzyl]propanamide

Catalog ID
STL561675
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1cccc(c1)c1nccs1

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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 C38H38N2O8S MW 682.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38N2O8S/c1-23-7-5-12-28(41)11-4-2-3-9-26-18-30(42)35(36(44)34(26)38(45)48-23)29(25-13-14-31-32(19-25)47-22-46-31)20-33(43)40-21-24-8-6-10-27(17-24)37-39-15-16-49-37/h3,6,8-10,13-19,23,29,42,44H,2,4-5,7,11-12,20-22H2,1H3,(H,40,43)/b9-3+/t23-,2
InChIKey
UXLMWDAHAJJLCE-BWMNFVHYSA-N
Synonyms

145705032
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(3(13thiazol2yl)benzyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N((3(13thiazol2yl)phenyl)methyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3(thiazol2yl)benzyl)propanamide
InChI=1SC38H38N2O8Sc123751228(41)114239261830(42)35(36(44)34(26)38(45)4823)29(2513143132(1925)47224631)2033(43)402124861027(1724)373915164937h36810131923294244H245711122022H21H3(H4043)b93+t2329?m0s1
MFCD32650740
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1cccc(c1)c1nccs1
ZINC001848443085
ZINC001848443086

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Available files

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