Vitas-M small molecule compound
N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanylnorvaline
Catalog ID
STL526941
SMILES CCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)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 C31H45N3O6 MW 555.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45N3O6/c1-6-8-25(28(37)38)33-27(36)19(3)32-26(35)18-40-34-21-11-14-29(4)20(17-21)9-10-22-23(29)12-15-30(5)24(22)13-16-31(30,39)7-2/h2,17,19,22-25,39H,6,8-16,18H2,1,3-5H3,(H,32,35)(H,33,36)(H,37,38)/b34-21-/t19?,22?,23?,24?,25?,29-,30-,31+/m0/InChIKey
KGVHXRBFRXAPHI-YDUARBNSSA-NSynonyms
2(2((2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoylamino)pentanoicacid
2(2(2(((Z)((8R9S10R13S14S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanamido)pentanoicacid
44664993
CCCC(C(=O)O)NC(=O)C(NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C#C)C)C)C
InChI=1SC31H45N3O6c16825(28(37)38)3327(36)19(3)3226(35)18403421111429(4)20(1721)9102223(29)121530(5)24(22)131631(3039)72h21719222539H681618H2135H3(H3235)(H3336)(H3738)b3421t19?22?23?24?25?293031+m0s1
MFCD03006215
N(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)alanylnorvaline
ZINC000253501829
ZINC000253501833
Check stock
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