Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylglutamic acid
Catalog ID
STL565348
SMILES CC(C(C(=O)NC(C(=O)O)CCC(=O)O)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 C33H47N3O8 MW 613.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47N3O8/c1-6-33(43)16-13-24-22-8-7-20-17-21(11-14-31(20,4)23(22)12-15-32(24,33)5)36-44-18-26(37)35-28(19(2)3)29(40)34-25(30(41)42)9-10-27(38)39/h1,17,19,22-25,28,43H,7-16,18H2,2-5H3,(H,34,40)(H,35,37)(H,38,39)(H,41,42)/b36-21+/t22?,23?,24?,25?InChIKey
UBTSXEPZDNSQIV-HEQWIFGHSA-NSynonyms
16398135
2((2((2((E)((10R13S17S)17ethynyl17hydroxy1013dimethyl267891112141516decahydro1Hcyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoyl)amino)pentanedioicacid
2(2(2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanamido)pentanedioicacid
CC(C(C(=O)NC(C(=O)O)CCC(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C#C)C)C)C
InChI=1SC33H47N3O8c1633(43)1613242287201721(111431(204)23(22)121532(2433)5)36441826(37)3528(19(2)3)29(40)3425(30(41)42)91027(38)39h1171922252843H71618H225H3(H3440)(H3537)(H3839)(H4142)b3621+t22?23?24?25?28?313233+m0s1
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)valylglutamicacid
ZINC000070673264
ZINC000253506399
Check stock
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