Vitas-M small molecule compound
5-{[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}pentanoic acid
Catalog ID
STL526980
SMILES C[C@@]12CC/C(=N\OCC(=O)NCCCCC(=O)O)/C=C2CCC2C1CC[C@]1(C2CC[C@@]1(O)C#C)C
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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 C28H40N2O5 MW 484.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O5/c1-4-28(34)15-12-23-21-9-8-19-17-20(10-13-26(19,2)22(21)11-14-27(23,28)3)30-35-18-24(31)29-16-6-5-7-25(32)33/h1,17,21-23,34H,5-16,18H2,2-3H3,(H,29,31)(H,32,33)/b30-20+/t21?,22?,23?,26-,27-,28-/m0/s1InChIKey
JDITZWADFKGZGB-USZXOIGUSA-NSynonyms
16397518
5((((((3E8xi9xi14xi17alpha)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)amino)pentanoicacid
5((2((~(E))((10~(R)13~(S)17~(R))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)pentanoicacid
5(2((((10R13S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)pentanoicacid
C(C@@)12CCC(=NOCC(=O)NCCCCC(=O)O)C=C2CCC2C1CC(C@)1(C2CC(C@@)1(O)C#C)C
InChI=1SC28H40N2O5c1428(34)1512232198191720(101326(192)22(21)111427(2328)3)30351824(31)291665725(32)33h117212334H51618H223H3(H2931)(H3233)b3020+t21?22?23?262728m0s1
MFCD03006274
ZINC000008964505
ZINC000012660649
Check stock
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