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-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-3-(4-methoxyphenyl)propanamide
Catalog ID
STL561679
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1c(=O)c(=O)[nH]c2c1cccc2
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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 C38H41N3O9 MW 683.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41N3O9/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-31(43)34(35(45)33(25)38(48)50-23)28(24-15-17-27(49-2)18-16-24)22-32(44)39-19-20-41-30-14-7-6-13-29(30)40-36(46)37(41)47/h4,6-7,10,13-18,21,23,28,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)(H,40,InChIKey
KYSHYCSTDGFDLF-GYDWINPNSA-NSynonyms
145705036
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(23dioxo34dihydroquinoxalin1(2H)yl)ethyl)3(4methoxyphenyl)propanamide
3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2(23dioxo4Hquinoxalin1yl)ethyl)3(4methoxyphenyl)propanamide
InChI=1SC38H41N3O9c123981226(42)1153410252131(43)34(35(45)33(25)38(48)5023)28(24151727(492)181624)2232(44)391920413014761329(30)4036(46)37(41)47h4671013182123284345H35891112192022H212H3(H3944)(H4046)b104+t2328?m0s1
MFCD32650744
ZINC001848442832
ZINC001848442833
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