Vitas-M small molecule compound
N~2~-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]asparagine
Catalog ID
STL527459
SMILES O=C(NC(C(=O)O)CC(=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 C27H39N3O7 MW 517.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H39N3O7/c1-15(31)27(36)11-8-20-18-5-4-16-12-17(6-9-25(16,2)19(18)7-10-26(20,27)3)30-37-14-23(33)29-21(24(34)35)13-22(28)32/h12,18-21,36H,4-11,13-14H2,1-3H3,(H2,28,32)(H,29,33)(H,34,35)/b30-17+/t18?,19?,20?,21?,25-,26-,27-/m0/s1InChIKey
CESZBWDCEVHSEC-ADRMECRBSA-NSynonyms
135639270
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)4amino4oxobutanoicacid
2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)4amino4oxobutanoicacid
InChI=1SC27H39N3O7c115(31)27(36)118201854161217(6925(162)19(18)71026(2027)3)30371423(33)2921(24(34)35)1322(28)32h12182136H4111314H213H3(H22832)(H2933)(H3435)b3017+t18?19?20?21?252627m0s1
MFCD03660032
N~2~(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)asparagine
N2(((((3E8XI9XI14XI)17HYDROXY20OXOPREGN4EN3YLIDENE)AMINO)OXY)ACETYL)ASPARAGINE
O=C(NC(C(=O)O)CC(=O)N)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
ZINC001772492139
ZINC001772492142
Check stock
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