Vitas-M small molecule compound

N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)alanine

Catalog ID
STL528069
SMILES O=C(NC(C(=O)O)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 C28H37NO9 MW 531.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO9/c1-15(25(35)36)29-22(33)6-7-23(34)38-14-21(32)28(37)11-9-19-18-5-4-16-12-17(30)8-10-26(16,2)24(18)20(31)13-27(19,28)3/h12,15,18-19,24,37H,4-11,13-14H2,1-3H3,(H,29,33)(H,35,36)/t15?,18?,19?,24?,26-,27-,28-/m0/s1
InChIKey
WOUOTTYQWSFPBE-ZWGBTNFISA-N
Synonyms

135639359
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)propanoicacid
2(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)propanoicacid
InChI=1SC28H37NO9c115(25(35)36)2922(33)6723(34)381421(32)28(37)119191854161217(30)81026(162)24(18)20(31)1327(1928)3h121518192437H4111314H213H3(H2933)(H3536)t15?18?19?24?262728m0s1
MFCD03849941
N(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)alanine
O=C(NC(C(=O)O)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
ZINC001772492369
ZINC001772492372

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Available files

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