Vitas-M small molecule compound
4-({[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoic acid
Catalog ID
STL526908
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NCc3ccc(cc3)C(=O)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 C31H40N2O8 MW 568.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O8/c1-29-11-9-21(33-41-17-26(37)32-15-18-3-5-19(6-4-18)28(38)39)13-20(29)7-8-22-23-10-12-31(40,25(36)16-34)30(23,2)14-24(35)27(22)29/h3-6,13,22-24,27,34-35,40H,7-12,14-17H2,1-2H3,(H,32,37)(H,38,39)/b33-21-/t22?,23?,24?,27?,29-,30-,31-/m0/InChIKey
QMBVEJCUARVHHU-MXGRACACSA-NSynonyms
4(((((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)amino)methyl)benzoicacid
4(((2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)methyl)benzoicacid
4((2((((8S9S10R11S13S14S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)methyl)benzoicacid
44664900
InChI=1SC31H40N2O8c12911921(33411726(37)3215183519(6418)28(38)39)1320(29)782223101231(4025(36)1634)30(232)1424(35)27(22)29h3613222427343540H7121417H212H3(H3237)(H3839)b3321t22?23?24?27?293031m0s1
MFCD03266287
OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCc3ccc(cc3)C(=O)O)CC(C@)12C
ZINC000253501934
ZINC000253501943
Check stock
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Check stock on Vitas-MAvailable files
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