Vitas-M small molecule compound
2-hydroxy-4-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
Catalog ID
STL528091
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)CC[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/h13,19-20,25-26,38,41H,5-12,14-16H2,1-4H3,(H,32,36)(H,39,40)/t19?,20?,25?,26?,29-,30-,31-/m0/s1InChIKey
QBTCPPVLMDFLMU-GPDJMNBUSA-NSynonyms
2hydroxy4((4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)amino)33dimethylbutanoicacid
2hydroxy4((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)33dimethylbutanoicacid
2hydroxy4(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)33dimethylbutanoicacid
44662740
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)4h13192025263841H5121416H214H3(H3236)(H3940)t19?20?25?26?293031m0s1
MFCD03849897
O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253506100
ZINC000253506106
Check stock
See real-time availability and sample size for STL528091 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.