Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]serine
Catalog ID
STL527587
SMILES OCC(C(=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 C26H38N2O7 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N2O7/c1-15(30)26(34)11-8-20-18-5-4-16-12-17(28-35-14-22(31)27-21(13-29)23(32)33)6-9-24(16,2)19(18)7-10-25(20,26)3/h12,18-21,29,34H,4-11,13-14H2,1-3H3,(H,27,31)(H,32,33)/b28-17+/t18?,19?,20?,21?,24-,25-,26-/m0/s1InChIKey
XPPSOAUERBQGOO-BPEXURDVSA-NSynonyms
135639289
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3hydroxypropanoicacid
2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3hydroxypropanoicacid
InChI=1SC26H38N2O7c115(30)26(34)118201854161217(28351422(31)2721(1329)23(32)33)6924(162)19(18)71025(2026)3h1218212934H4111314H213H3(H2731)(H3233)b2817+t18?19?20?21?242526m0s1
MFCD03659969
N(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)serine
OCC(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
ZINC001772492206
ZINC001772492209
Check stock
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Check stock on Vitas-MAvailable files
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