Vitas-M small molecule compound
N~3~-{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-1,3-thiazol-2-yl-beta-alaninamide
Catalog ID
STL552452
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)Nc1nccs1
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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 C34H39N3O8S MW 649.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N3O8S/c1-21-7-6-10-24(38)9-5-3-4-8-23-19-27(39)31(32(42)30(23)33(43)45-21)26(22-11-13-25(44-2)14-12-22)20-29(41)35-16-15-28(40)37-34-36-17-18-46-34/h4,8,11-14,17-19,21,26,39,42H,3,5-7,9-10,15-16,20H2,1-2H3,(H,35,41)(H,36,37,40)/b8-4+/t21-,2InChIKey
ZFANOZSMWCWXTO-CBTXYGGDSA-NSynonyms
135640685
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)(3oxo3(13thiazol2ylamino)propyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(3oxo3(thiazol2ylamino)propyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)Nc1nccs1
InChI=1SC34H39N3O8Sc121761024(38)95348231927(39)31(32(42)30(23)33(43)4521)26(22111325(442)141222)2029(41)35161528(40)37343617184634h481114171921263942H357910151620H212H3(H3541)(H363740)b84+t2126?m0s1
N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)N13thiazol2ylbetaalaninamide
ZINC001772493152
ZINC001772493153
Check stock
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