Vitas-M small molecule compound
3-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-2-phenylpropanoic acid
Catalog ID
STL528191
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCC(c1ccccc1)C(=O)O
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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 C34H41NO9 MW 607.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41NO9/c1-32-14-12-22(36)16-21(32)8-9-23-25-13-15-34(43,33(25,2)17-26(37)30(23)32)27(38)19-44-29(40)11-10-28(39)35-18-24(31(41)42)20-6-4-3-5-7-20/h3-7,16,23-25,30,43H,8-15,17-19H2,1-2H3,(H,35,39)(H,41,42)/t23?,24?,25?,30?,32-,33-,34-/m0/s1InChIKey
UNKQTCGROGGGGV-UAWXKJHTSA-NSynonyms
3((4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)amino)2phenylpropanoicacid
3((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)2phenylpropanoicacid
3(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)2phenylpropanoicacid
44661733
InChI=1SC34H41NO9c132141222(36)1621(32)892325131534(4333(252)1726(37)30(23)32)27(38)194429(40)111028(39)351824(31(41)42)206435720h371623253043H8151719H212H3(H3539)(H4142)t23?24?25?30?323334m0s1
MFCD03849915
O=C(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)CCC(=O)NCC(c1ccccc1)C(=O)O
ZINC000257361257
ZINC000257361260
Check stock
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Check stock on Vitas-MAvailable files
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