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Vitas-M small molecule compound

N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)cysteine

Catalog ID
STL528165
SMILES SCC(C(=O)O)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 C28H39NO9S MW 565.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO9S/c1-26-9-7-16(30)11-15(26)3-4-17-18-8-10-28(37,27(18,2)12-20(31)24(17)26)21(32)13-38-23(34)6-5-22(33)29-19(14-39)25(35)36/h11,17-20,24,31,37,39H,3-10,12-14H2,1-2H3,(H,29,33)(H,35,36)/t17?,18?,19?,20?,24?,26-,27-,28-/m0/s1
InChIKey
HFFSTHNVLCSKNL-YIUJZOQBSA-N
Synonyms

2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3sulfanylpropanoicacid
2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3mercaptopropanoicacid
44664372
InChI=1SC28H39NO9Sc1269716(30)1115(26)34171881028(3727(182)1220(31)24(17)26)21(32)133823(34)6522(33)2919(1439)25(35)36h11172024313739H3101214H212H3(H2933)(H3536)t17?18?19?20?24?262728m0s1
MFCD03849956
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)cysteine
SCC(C(=O)O)NC(=O)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)CC(C@)12C
ZINC000253502495
ZINC000253502503

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Available files

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