Vitas-M small molecule compound

(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate

Catalog ID
STL528181
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(c(c1)O)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 C33H43NO8 MW 581.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43NO8/c1-31-13-9-22(35)18-21(31)4-5-23-24(31)10-14-32(2)25(23)11-15-33(32,41)28(38)19-42-30(40)8-7-29(39)34-16-12-20-3-6-26(36)27(37)17-20/h3,6,17-18,23-25,36-37,41H,4-5,7-16,19H2,1-2H3,(H,34,39)/t23?,24?,25?,31-,32-,33-/m0/s1
InChIKey
AQVJGPWPTUOMQP-DQWZJFMRSA-N
Synonyms

(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(34dihydroxyphenyl)ethylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yl4((2(34dihydroxyphenyl)ethyl)amino)4oxobutanoate
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((34dihydroxyphenethyl)amino)4oxobutanoate
44661418
InChI=1SC33H43NO8c13113922(35)1821(31)452324(31)101432(2)25(23)111533(3241)28(38)194230(40)8729(39)341612203626(36)27(37)1720h3617182325363741H4571619H212H3(H3439)t23?24?25?313233m0s1
MFCD03849875
O=C(CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCc1ccc(c(c1)O)O
ZINC000253504201
ZINC000253504210

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Available files

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