Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-[(2,3-dimethoxybenzyl)amino]-4-oxobutanoate
Catalog ID
STL528472
SMILES COc1cccc(c1OC)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C
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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 C34H45NO8 MW 595.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45NO8/c1-32-15-12-23(36)18-22(32)8-9-24-25(32)13-16-33(2)26(24)14-17-34(33,40)28(37)20-43-30(39)11-10-29(38)35-19-21-6-5-7-27(41-3)31(21)42-4/h5-7,18,24-26,40H,8-17,19-20H2,1-4H3,(H,35,38)/t24?,25?,26?,32?,33?,34-/m0/s1InChIKey
XUIRARHEAYONMM-KGSCOUFJSA-NSynonyms
(2((17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((23dimethoxyphenyl)methylamino)4oxobutanoate
(8xi9xi10xi13xi14xi)17hydroxy320dioxopregn4en21yl4((23dimethoxybenzyl)amino)4oxobutanoate
44660605
InChI=1SC34H45NO8c132151223(36)1822(32)892425(32)131633(2)26(24)141734(3340)28(37)204330(39)111029(38)35192165727(413)31(21)424h5718242640H8171920H214H3(H3538)t24?25?26?32?33?34m0s1
MFCD04077040
ZINC000253504256
ZINC000253504271
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