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-{1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-phenylpropan-2-yl}propanamid
Catalog ID
STL552176
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C48H53N3O9 MW 815.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H53N3O9/c1-30-11-9-16-36(52)15-8-4-7-14-34-25-41(53)45(46(56)44(34)48(58)60-30)38(33-19-21-37(59-2)22-20-33)26-42(54)49-39(24-31-12-5-3-6-13-31)47(57)50-27-32-23-35(29-50)40-17-10-18-43(55)51(40)28-32/h3,5-7,10,12-14,17-22,25,30,32,35,38-39,53InChIKey
CLXTWNLTWKMMPN-LCPBKGLXSA-NSynonyms
135640455
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)3phenylpropan2yl)propanamid
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)(1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)3phenylpropan2yl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
InChI=1SC48H53N3O9c1301191636(52)1584714342541(53)45(46(56)44(34)48(58)6030)38(33192137(592)222033)2642(54)4939(2431125361331)47(57)5027322335(2950)4017101843(55)51(40)2832h35710121417222530323538395356H48911151623242629H212H3(H4954)b147+t3032+3538?3
ZINC001547206297
ZINC001547206302
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