Vitas-M small molecule compound
5-{[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}pentanoic acid
Catalog ID
STL553062
SMILES O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C(=O)C)C)C)NCCCCC(=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 C28H42N2O6 MW 502.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N2O6/c1-18(31)28(35)14-11-23-21-8-7-19-16-20(9-12-26(19,2)22(21)10-13-27(23,28)3)30-36-17-24(32)29-15-5-4-6-25(33)34/h16,21-23,35H,4-15,17H2,1-3H3,(H,29,32)(H,33,34)/b30-20+/t21?,22?,23?,26-,27-,28?/m0/s1InChIKey
ASSDFWWHWGKDER-RDSOQVHYSA-NSynonyms
44712074
5((((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)amino)pentanoicacid
5((2((~(E))((10~(R)13~(S))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)pentanoicacid
5(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)pentanoicacid
InChI=1SC28H42N2O6c118(31)28(35)1411232187191620(91226(192)22(21)101327(2328)3)30361724(32)291554625(33)34h16212335H41517H213H3(H2932)(H3334)b3020+t21?22?23?262728?m0s1
O=C(CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C)NCCCCC(=O)O
ZINC000039546559
ZINC001772492952
Check stock
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