Vitas-M small molecule compound
methyl 4-hydroxy-1-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)prolinate
Catalog ID
STL524760
SMILES COC(=O)C1CC(CN1C(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)O
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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 C29H41NO7 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41NO7/c1-28-12-10-18(31)14-17(28)4-5-20-21-6-7-24(29(21,2)13-11-22(20)28)37-26(34)9-8-25(33)30-16-19(32)15-23(30)27(35)36-3/h14,19-24,32H,4-13,15-16H2,1-3H3/t19?,20?,21?,22?,23?,24?,28-,29-/m0/s1InChIKey
IZJKGRBRKWWWLE-JQTYPMQVSA-NSynonyms
16396805
COC(=O)C1CC(CN1C(=O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)O
InChI=1SC29H41NO7c128121018(31)1417(28)4520216724(29(212)131122(20)28)3726(34)9825(33)301619(32)1523(30)27(35)363h14192432H4131516H213H3t19?20?21?22?23?24?2829m0s1
methyl1(4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylate
methyl1(4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)4hydroxypyrrolidine2carboxylate
methyl4hydroxy1(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)prolinate
MFCD02059001
ZINC000012659463
ZINC000253499529
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