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]-3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

Catalog ID
STL561823
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCc1ccc(cc1)OC

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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 C37H43NO8 MW 629.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H43NO8/c1-24-8-7-11-28(39)10-6-4-5-9-27-22-32(40)35(36(42)34(27)37(43)46-24)31(26-14-18-30(45-3)19-15-26)23-33(41)38-21-20-25-12-16-29(44-2)17-13-25/h5,9,12-19,22,24,31,40,42H,4,6-8,10-11,20-21,23H2,1-3H3,(H,38,41)/b9-5+/t24-,31?/m0/s1
InChIKey
JCJAFHLUSDMCEH-WAWZKAQWSA-N
Synonyms

145705178
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(2(4methoxyphenyl)ethyl)propanamide
3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)N(2(4methoxyphenyl)ethyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(4methoxyphenethyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCc1ccc(cc1)OC
InChI=1SC37H43NO8c124871128(39)106459272232(40)35(36(42)34(27)37(43)4624)31(26141830(453)191526)2333(41)38212025121629(442)171325h5912192224314042H4681011202123H213H3(H3841)b95+t2431?m0s1
MFCD32650886
ZINC001848442779
ZINC001848442780

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.