Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylphenylalanine
Catalog ID
STL528187
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)NC(C(=O)O)Cc3ccccc3)C(C)C)/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 C37H49N3O6 MW 631.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H49N3O6/c1-6-37(45)19-16-29-27-13-12-25-21-26(14-17-35(25,4)28(27)15-18-36(29,37)5)40-46-22-31(41)39-32(23(2)3)33(42)38-30(34(43)44)20-24-10-8-7-9-11-24/h1,7-11,21,23,27-30,32,45H,12-20,22H2,2-5H3,(H,38,42)(H,39,41)(H,43,44)/b40-26+/t27?,28?,2InChIKey
QOXQKEFDMRHFRC-BOHISRJJSA-NSynonyms
16398527
2((2((2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)3phenylpropanoicacid
2(2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)3phenylpropanoicacid
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NC(C(=O)NC(C(=O)O)Cc3ccccc3)C(C)C)CC(C@)12C
InChI=1SC37H49N3O6c1637(45)191629271312252126(141735(254)28(27)151836(2937)5)40462231(41)3932(23(2)3)33(42)3830(34(43)44)2024108791124h1711212327303245H122022H225H3(H3842)(H3941)(H4344)b4026+t27?28?29?30?32?353637+m0s1
MFCD03850133
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylphenylalanine
ZINC000070680425
ZINC000253522764
Check stock
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