Vitas-M small molecule compound
N~2~-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)asparagine
Catalog ID
STL528176
SMILES O=C(NC(C(=O)O)CC(=O)N)CCC(=O)OCC(=O)[C@@]1(O)CCC2[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 C29H40N2O9 MW 560.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O9/c1-27-10-7-17(32)13-16(27)3-4-18-19(27)8-11-28(2)20(18)9-12-29(28,39)22(33)15-40-25(36)6-5-24(35)31-21(26(37)38)14-23(30)34/h13,18-21,39H,3-12,14-15H2,1-2H3,(H2,30,34)(H,31,35)(H,37,38)/t18?,19?,20?,21?,27-,28-,29-/m0/s1InChIKey
CGAKIHUDGZMGAF-WVJMZMHESA-NSynonyms
42648579
4amino2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)4oxobutanoicacid
4amino2(4(2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)4oxobutanoicacid
InChI=1SC29H40N2O9c12710717(32)1316(27)341819(27)81128(2)20(18)91229(2839)22(33)154025(36)6524(35)3121(26(37)38)1423(30)34h13182139H3121415H212H3(H23034)(H3135)(H3738)t18?19?20?21?272829m0s1
MFCD03849884
N~2~(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)asparagine
N2(4(((8XI9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL)OXY)4OXOBUTANOYL)ASPARAGINE
O=C(NC(C(=O)O)CC(=O)N)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000070680326
ZINC000253530321
Check stock
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Check stock on Vitas-MAvailable files
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