Vitas-M small molecule compound
17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL537129
SMILES COc1cc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3CCC3=CC(=O)CC[C@]23C)ccc1OC
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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 C35H47NO8 MW 609.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H47NO8/c1-33-15-11-24(37)20-23(33)6-7-25-26(33)12-16-34(2)27(25)13-17-35(34,41)30(38)21-44-32(40)10-9-31(39)36-18-14-22-5-8-28(42-3)29(19-22)43-4/h5,8,19-20,25-27,41H,6-7,9-18,21H2,1-4H3,(H,36,39)/t25-,26+,27+,33+,34+,35+/m1/s1InChIKey
UPWSSCXHVGUGOA-LEOOHTRYSA-NSynonyms
1042711-44-3(2((8~(R)9~(S)10~(R)13~(S)14~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(34dimethoxyphenyl)ethylamino)4oxobutanoate
1042711443
16403399
17hydroxy320dioxopregn4en21yl4((2(34dimethoxyphenyl)ethyl)amino)4oxobutanoate
2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((34dimethoxyphenethyl)amino)4oxobutanoate
COc1cc(CCNC(=O)CCC(=O)OCC(=O)(C@@)2(O)CC(C@@H)3(C@)2(C)CC(C@H)2(C@H)3CCC3=CC(=O)CC(C@)23C)ccc1OC
InChI=1SC35H47NO8c133151124(37)2023(33)672526(33)121634(2)27(25)131735(3441)30(38)214432(40)10931(39)361814225828(423)29(1922)434h581920252741H6791821H214H3(H3639)t2526+27+33+34+35+m1s1
MFCD06495720
ZINC000070698554
ZINC70698554
Check stock
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Check stock on Vitas-MAvailable files
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