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-(4-methoxybenzyl)-3-(4-methoxyphenyl)propanamide
Catalog ID
STL552175
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1ccc(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 C36H41NO8 MW 615.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41NO8/c1-23-8-7-11-27(38)10-6-4-5-9-26-20-31(39)34(35(41)33(26)36(42)45-23)30(25-14-18-29(44-3)19-15-25)21-32(40)37-22-24-12-16-28(43-2)17-13-24/h5,9,12-20,23,30,39,41H,4,6-8,10-11,21-22H2,1-3H3,(H,37,40)/b9-5+/t23-,30?/m0/s1InChIKey
HXOHXUGWMKWPTJ-CMMVHBTHSA-NSynonyms
135640454
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(4methoxybenzyl)3(4methoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)((4methoxyphenyl)methyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(4methoxybenzyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1ccc(cc1)OC
InChI=1SC36H41NO8c123871127(38)106459262031(39)34(35(41)33(26)36(42)4523)30(25141829(443)191525)2132(40)372224121628(432)171324h59122023303941H46810112122H213H3(H3740)b95+t2330?m0s1
ZINC001547212340
ZINC001547212341
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.