Vitas-M small molecule compound
beta-hydroxy-N-[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]phenylalanine
Catalog ID
STL526979
SMILES C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(c3ccccc3)O)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 C32H40N2O6 MW 548.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O6/c1-4-32(39)17-14-25-23-11-10-21-18-22(12-15-30(21,2)24(23)13-16-31(25,32)3)34-40-19-26(35)33-27(29(37)38)28(36)20-8-6-5-7-9-20/h1,5-9,18,23-25,27-28,36,39H,10-17,19H2,2-3H3,(H,33,35)(H,37,38)/b34-22+/t23?,24?,25?,27?,28?,30-,31-,32-/m0InChIKey
ZBWAKFNKDRNXJH-FDTUJZIISA-NSynonyms
16397372
2((2((~(E))((10~(R)13~(S)17~(R))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3hydroxy3phenylpropanoicacid
2(2((((10R13S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3hydroxy3phenylpropanoicacid
betahydroxyN(((((3E8xi9xi14xi17alpha)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)phenylalanine
C#C(C@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(c3ccccc3)O)C(=O)O)CC(C@)12C
InChI=1SC32H40N2O6c1432(39)171425231110211822(121530(212)24(23)131631(2532)3)34401926(35)3327(29(37)38)28(36)208657920h15918232527283639H101719H223H3(H3335)(H3738)b3422+t23?24?25?27?28?303132m0s1
MFCD03005697
ZINC000070670221
ZINC000257372910
Check stock
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