Vitas-M small molecule compound
methyl N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)histidinate
Catalog ID
STL565345
SMILES COC(=O)C(Cc1c[nH]cn1)NC(=O)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 C32H41N3O9 MW 611.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N3O9/c1-30-10-8-20(36)12-18(30)4-5-21-22-9-11-32(42,31(22,2)14-24(37)28(21)30)25(38)16-44-27(40)7-6-26(39)35-23(29(41)43-3)13-19-15-33-17-34-19/h12,15,17,21-23,28,42H,4-11,13-14,16H2,1-3H3,(H,33,34)(H,35,39)/t21?,22?,23?,28?,30-,31-,32-/m0/InChIKey
SDQKOBBVHBDGSU-LGEFJHBWSA-NSynonyms
(2((10R13S17R)17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)4((3(1Himidazol5yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
16403769
2((10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((3(1Himidazol4yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
COC(=O)C(Cc1c(nH)cn1)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC32H41N3O9c13010820(36)1218(30)45212291132(4231(222)1424(37)28(21)30)25(38)164427(40)7626(39)3523(29(41)433)13191533173419h12151721232842H411131416H213H3(H3334)(H3539)t21?22?23?28?303132m0s1
methylN(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)histidinate
ZINC000070699335
ZINC000070699356
Check stock
See real-time availability and sample size for STL565345 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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