Vitas-M small molecule compound
methyl N-[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]histidinate
Catalog ID
STL525859
SMILES COC(=O)C(Cc1c[nH]cn1)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)CO)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 C30H42N4O8 MW 586.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N4O8/c1-28-8-6-18(34-42-15-25(38)33-22(27(39)41-3)11-19-13-31-16-32-19)10-17(28)4-5-20-21-7-9-30(40,24(37)14-35)29(21,2)12-23(36)26(20)28/h10,13,16,20-23,26,35-36,40H,4-9,11-12,14-15H2,1-3H3,(H,31,32)(H,33,38)/b34-18+/t20?,21?,22?,23?,26?,2InChIKey
RNKPFHSABYHPJW-DYWSLTNISA-NSynonyms
135639099
COC(=O)C(Cc1c(nH)cn1)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2(C@H)(O)C(C@)2((C@H)1CC(C@)2(O)C(=O)CO)C)C
InChI=1SC30H42N4O8c1288618(34421525(38)3322(27(39)413)11191331163219)1017(28)4520217930(4024(37)1435)29(212)1223(36)26(20)28h101316202326353640H4911121415H213H3(H3132)(H3338)b3418+t20?21?22?23?26?282930m0s1
methyl2((2((~(E))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(1~(H)imidazol5yl)propanoate
methyl2(2((((8S9S10R11R13S14S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(1Himidazol4yl)propanoate
methylN(((((3E8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)histidinate
MFCD01845762
ZINC001772491975
ZINC001772491978
Check stock
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