Vitas-M small molecule compound
N~2~-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glutamine
Catalog ID
STL540330
SMILES O=C(NC(C(=O)O)CCC(=O)N)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 C28H41N3O7 MW 531.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41N3O7/c1-16(32)28(37)13-10-21-19-5-4-17-14-18(8-11-26(17,2)20(19)9-12-27(21,28)3)31-38-15-24(34)30-22(25(35)36)6-7-23(29)33/h14,19-22,37H,4-13,15H2,1-3H3,(H2,29,33)(H,30,34)(H,35,36)/b31-18+/t19?,20?,21?,22?,26-,27-,28-/m0/s1InChIKey
WHWHVMRMOGUQKX-UXGJYMGYSA-NSynonyms
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)5amino5oxopentanoicacid
2(2((((10R13S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)5amino5oxopentanoicacid
42648661
InChI=1SC28H41N3O7c116(32)28(37)1310211954171418(81126(172)20(19)91227(2128)3)31381524(34)3022(25(35)36)6723(29)33h14192237H41315H213H3(H22933)(H3034)(H3536)b3118+t19?20?21?22?262728m0s1
N~2~(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)glutamine
N2(((((3E8XI9XI14XI)17HYDROXY20OXOPREGN4EN3YLIDENE)AMINO)OXY)ACETYL)GLUTAMINE
O=C(NC(C(=O)O)CCC(=O)N)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C(=O)C)C)C
ZINC000012296533
ZINC000257372779
Check stock
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