Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL528946
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)CCC(=O)NCCC1=CCCCC1
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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 C33H45NO7 MW 567.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45NO7/c1-31-15-12-23(35)18-22(31)8-9-24-25-13-16-33(40,32(25,2)19-26(36)30(24)31)27(37)20-41-29(39)11-10-28(38)34-17-14-21-6-4-3-5-7-21/h6,12,15,18,24-26,30,36,40H,3-5,7-11,13-14,16-17,19-20H2,1-2H3,(H,34,38)/t24?,25?,26?,30?,31-,32-,33-/m0/sInChIKey
LPBLSQCGWKWXOP-WPYIPTSUSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(cyclohexen1yl)ethylamino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl4((2(cyclohex1en1yl)ethyl)amino)4oxobutanoate
16403884
2((10R13S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2(cyclohex1en1yl)ethyl)amino)4oxobutanoate
InChI=1SC33H45NO7c131151223(35)1822(31)892425131633(4032(252)1926(36)30(24)31)27(37)204129(39)111028(38)341714216435721h61215182426303640H35711131416171920H212H3(H3438)t24?25?26?30?313233m0s1
MFCD05727358
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)C=C(C@)12C)CCC(=O)NCCC1=CCCCC1
ZINC000070699598
ZINC000257198908
Check stock
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