Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-3-ylmethyl)acetamide
Catalog ID
STL527096
SMILES O=C(NCc1cccnc1)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 C29H39N3O4 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O4/c1-19(33)29(35)13-10-25-23-7-6-21-15-22(8-11-27(21,2)24(23)9-12-28(25,29)3)32-36-18-26(34)31-17-20-5-4-14-30-16-20/h4-5,14-16,23-25,35H,6-13,17-18H2,1-3H3,(H,31,34)/b32-22-/t23?,24?,25?,27-,28-,29-/m0/s1InChIKey
OBCHLPCJLOFDIN-QFUAHPKRSA-NSynonyms
135639225
2((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)N(pyridin3ylmethyl)acetamide
2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(pyridin3ylmethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(pyridin3ylmethyl)acetamide
InChI=1SC29H39N3O4c119(33)29(35)1310252376211522(81127(212)24(23)91228(2529)3)32361826(34)3117205414301620h451416232535H6131718H213H3(H3134)b3222t23?24?25?272829m0s1
MFCD03266488
O=C(NCc1cccnc1)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
ZINC001772492277
ZINC001772492280
Check stock
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