Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-[(1,3-benzodioxol-4-ylmethyl)amino]-4-oxobutanoate
Catalog ID
STL528728
SMILES O=C(NCc1cccc2c1OCO2)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 C33H39NO9 MW 593.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO9/c1-31-12-10-21(35)14-20(31)6-7-22-23-11-13-33(40,32(23,2)15-24(36)29(22)31)26(37)17-41-28(39)9-8-27(38)34-16-19-4-3-5-25-30(19)43-18-42-25/h3-5,10,12,14,22-24,29,36,40H,6-9,11,13,15-18H2,1-2H3,(H,34,38)/t22?,23?,24?,29?,31-,32-,33-/m0/sInChIKey
BLVQLEYJEAAYBR-RBFRBPLPSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(13benzodioxol4ylmethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl4((13benzodioxol4ylmethyl)amino)4oxobutanoate
16403610
2((10R13S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4((benzo(d)(13)dioxol4ylmethyl)amino)4oxobutanoate
InChI=1SC33H39NO9c131121021(35)1420(31)672223111333(4032(232)1524(36)29(22)31)26(37)174128(39)9827(38)3416194352530(19)43184225h351012142224293640H6911131518H212H3(H3438)t22?23?24?29?313233m0s1
MFCD05726998
O=C(NCc1cccc2c1OCO2)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)C=C(C@)12C
ZINC000070698980
ZINC000253504355
Check stock
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