Vitas-M small molecule compound
4-[(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)amino]-2-hydroxy-3,3-dimethylbutanoic acid
Catalog ID
STL526564
SMILES O=C(NCC(C(C(=O)O)O)(C)C)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 C31H43NO10 MW 589.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43NO10/c1-28(2,26(38)27(39)40)16-32-23(36)7-8-24(37)42-15-22(35)31(41)12-10-20-19-6-5-17-13-18(33)9-11-29(17,3)25(19)21(34)14-30(20,31)4/h9,11,13,19-21,25-26,34,38,41H,5-8,10,12,14-16H2,1-4H3,(H,32,36)(H,39,40)/t19?,20?,21?,25?,26?,29-,30-,31InChIKey
FDGAMRAWLJULKY-KEQUSUGHSA-NSynonyms
4((4(((8xi9xi14xi17alpha)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)amino)2hydroxy33dimethylbutanoicacid
4((4(2((10~(R)13~(S)17~(S))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)2hydroxy33dimethylbutanoicacid
4(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)2hydroxy33dimethylbutanoicacid
44662432
InChI=1SC31H43NO10c128(226(38)27(39)40)163223(36)7824(37)421522(35)31(41)1210201965171318(33)91129(173)25(19)21(34)1430(2031)4h9111319212526343841H5810121416H214H3(H3236)(H3940)t19?20?21?25?26?293031+m0s1
MFCD02926057
O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)C=C(C@)12C
ZINC000253504813
ZINC000253504822
Check stock
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