Vitas-M small molecule compound
N-(4-oxo-4-{[(5alpha,8xi,9xi,14xi)-3-oxoandrostan-17-yl]oxy}butanoyl)phenylalanine
Catalog ID
STL537774
SMILES O=C(NC(C(=O)O)Cc1ccccc1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(=O)C2
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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 C32H43NO6 MW 537.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43NO6/c1-31-16-14-22(34)19-21(31)8-9-23-24-10-11-27(32(24,2)17-15-25(23)31)39-29(36)13-12-28(35)33-26(30(37)38)18-20-6-4-3-5-7-20/h3-7,21,23-27H,8-19H2,1-2H3,(H,33,35)(H,37,38)/t21-,23?,24?,25?,26?,27?,31-,32-/m0/s1InChIKey
VOEPPBMZZPJBHY-WWIRUPCESA-NSynonyms
135639500
2((4(((5~(S)10~(S)13~(S))1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)3phenylpropanoicacid
2(4(((10S13S)1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)3phenylpropanoicacid
InChI=1SC32H43NO6c131161422(34)1921(31)892324101127(32(242)171525(23)31)3929(36)131228(35)3326(30(37)38)18206435720h37212327H819H212H3(H3335)(H3738)t2123?24?25?26?27?3132m0s1
N(4oxo4(((5alpha8xi9xi14xi)3oxoandrostan17yl)oxy)butanoyl)phenylalanine
O=C(NC(C(=O)O)Cc1ccccc1)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2(C@)1(C)CCC(=O)C2
ZINC001772492598
ZINC001772492601
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