Vitas-M small molecule compound
methyl N-(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)tryptophanate
Catalog ID
STL526517
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C
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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 C37H44N2O9 MW 660.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N2O9/c1-35-14-12-23(40)17-22(35)8-9-25-26-13-15-37(46,36(26,2)18-29(41)33(25)35)30(42)20-48-32(44)11-10-31(43)39-28(34(45)47-3)16-21-19-38-27-7-5-4-6-24(21)27/h4-7,12,14,17,19,25-26,28-29,33,38,41,46H,8-11,13,15-16,18,20H2,1-3H3,(H,39,43)/tInChIKey
BXZQVTPQVZHJNP-ZVPOMCMYSA-NSynonyms
(2((10~(R)13~(S)17~(S))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((3(1~(H)indol3yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4((3(1Hindol3yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
44661570
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)C=C(C@)12C
InChI=1SC37H44N2O9c135141223(40)1722(35)892526131537(4636(262)1829(41)33(25)35)30(42)204832(44)111031(43)3928(34(45)473)1621193827754624(21)27h47121417192526282933384146H8111315161820H213H3(H3943)t25?26?28?29?33?353637+m0s1
methylN(4(((8xi9xi14xi17alpha)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)tryptophanate
MFCD02926217
ZINC000253504402
ZINC000253504410
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