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-(4-methoxyphenyl)propanoyl}-N-methyl-D-tryptophanamide
Catalog ID
STL552071
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@@H](C(=O)NC)Cc1c[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 C40H45N3O8 MW 695.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H45N3O8/c1-24-10-9-13-28(44)12-6-4-5-11-26-21-34(45)37(38(47)36(26)40(49)51-24)31(25-16-18-29(50-3)19-17-25)22-35(46)43-33(39(48)41-2)20-27-23-42-32-15-8-7-14-30(27)32/h5,7-8,11,14-19,21,23-24,31,33,42,45,47H,4,6,9-10,12-13,20,22H2,1-3H3,(H,41InChIKey
VNJYOLDMAYLZJV-WVGRLMHCSA-NSynonyms
(2~(R))2((3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanoyl)amino)3(1~(H)indol3yl)~(N)methylpropanamide
135640369
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@@H)(C(=O)NC)Cc1c(nH)c2c1cccc2
InChI=1SC40H45N3O8c1241091328(44)1264511262134(45)37(38(47)36(26)40(49)5124)31(25161829(503)191725)2235(46)4333(39(48)412)202723423215871430(27)32h5781114192123243133424547H4691012132022H213H3(H4148)(H4346)b115+t2431?33+m0s1
N((R)3(1Hindol3yl)1(methylamino)1oxopropan2yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
Nalpha(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)NmethylDtryptophanamide
ZINC001772493052
ZINC001772493053
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