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-{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}-3-(3,4,5-trimethoxyphenyl)pro

Catalog ID
STL551651
SMILES COc1cc(cc(c1OC)OC)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 C50H57N3O11 MW 876.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C50H57N3O11/c1-30-13-11-18-36(54)17-10-6-9-16-33-23-40(55)46(47(58)45(33)50(60)64-30)37(34-24-41(61-2)48(63-4)42(25-34)62-3)26-43(56)51-38(22-31-14-7-5-8-15-31)49(59)52-27-32-21-35(29-52)39-19-12-20-44(57)53(39)28-32/h5,7-9,12,14-16,19-20,23-25,3
InChIKey
LSTCKQXUAOLTPM-BSBIKOGTSA-N
Synonyms

135640014
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)3phenylpropan2yl)3(345trimethoxyphenyl)pro
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)3phenylpropan2yl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)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=1SC50H57N3O11c13013111836(54)17106916332340(55)46(47(58)45(33)50(60)6430)37(342441(612)48(634)42(2534)623)2643(56)5138(2231147581531)49(59)5227322135(2952)3919122044(57)53(39)2832h5791214161920232530323537385558H6101113171821222629H214H3(H5156)
ZINC001547138436
ZINC001547211715

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Available files

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