Vitas-M small molecule compound
methyl N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)histidinate
Catalog ID
STL524650
SMILES COC(=O)C(Cc1c[nH]cn1)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=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 C30H41N3O6 MW 539.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41N3O6/c1-29-12-10-20(34)14-18(29)4-5-21-22-6-7-25(30(22,2)13-11-23(21)29)39-27(36)9-8-26(35)33-24(28(37)38-3)15-19-16-31-17-32-19/h14,16-17,21-25H,4-13,15H2,1-3H3,(H,31,32)(H,33,35)/t21?,22?,23?,24?,25?,29-,30-/m0/s1InChIKey
UCEHSTVERPUINM-VCZXRPOGSA-NSynonyms
((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)4((3(1~(H)imidazol5yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
(8R9S10R13S14S17S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl4((3(1Himidazol4yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
135638963
COC(=O)C(Cc1c(nH)cn1)NC(=O)CCC(=O)O(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC30H41N3O6c129121020(34)1418(29)4521226725(30(222)131123(21)29)3927(36)9826(35)3324(28(37)383)15191631173219h1416172125H41315H213H3(H3132)(H3335)t21?22?23?24?25?2930m0s1
methylN(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)histidinate
MFCD02057274
ZINC001772491818
ZINC001772491821
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