Vitas-M small molecule compound
1-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-4-hydroxyproline
Catalog ID
STL524905
SMILES OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[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 C30H41NO10 MW 575.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO10/c1-28-9-7-17(32)11-16(28)3-4-19-20-8-10-30(40,29(20,2)13-22(34)26(19)28)23(35)15-41-25(37)6-5-24(36)31-14-18(33)12-21(31)27(38)39/h11,18-22,26,33-34,40H,3-10,12-15H2,1-2H3,(H,38,39)/t18?,19?,20?,21?,22?,26?,28-,29-,30-/m0/s1InChIKey
JAXNGXDDJMTFDU-NJKJIQPUSA-NSynonyms
1(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)4hydroxyproline
1(4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylicacid
1(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylicacid
44665096
InChI=1SC30H41NO10c1289717(32)1116(28)34192081030(4029(202)1322(34)26(19)28)23(35)154125(37)6524(36)311418(33)1221(31)27(38)39h11182226333440H3101215H212H3(H3839)t18?19?20?21?22?26?282930m0s1
MFCD02058483
OC1CN(C(C1)C(=O)O)C(=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)CC(C@)12C
ZINC000253501809
ZINC000253501814
Check stock
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Check stock on Vitas-MAvailable files
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