Vitas-M small molecule compound
methyl N-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]-3-nitrotyrosinate
Catalog ID
STL526857
SMILES COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=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 C33H43N3O9 MW 625.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O9/c1-19(37)33(41)14-11-25-23-7-6-21-17-22(9-12-31(21,2)24(23)10-13-32(25,33)3)35-45-18-29(39)34-26(30(40)44-4)15-20-5-8-28(38)27(16-20)36(42)43/h5,8,16-17,23-26,38,41H,6-7,9-15,18H2,1-4H3,(H,34,39)/b35-22-/t23?,24?,25?,26?,31-,32-,33-/m0InChIKey
LGJGZAYJXOXHFV-QMGMBEPPSA-NSynonyms
16397530
COC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C(=O)C)C)C
InChI=1SC33H43N3O9c119(37)33(41)1411252376211722(91231(212)24(23)101332(2533)3)35451829(39)3426(30(40)444)15205828(38)27(1620)36(42)43h58161723263841H6791518H214H3(H3439)b3522t23?24?25?26?313233m0s1
methyl2((2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3(4hydroxy3nitrophenyl)propanoate
methyl2(2(((Z)((10R13S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3(4hydroxy3nitrophenyl)propanoate
methylN(((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)3nitrotyrosinate
MFCD03006352
ZINC000070672164
ZINC000070672178
Check stock
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