Vitas-M small molecule compound
2-({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-4-ylmethyl)acetamide
Catalog ID
STL526406
SMILES O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C)NCc1ccncc1
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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 C29H39N3O3 MW 477.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O3/c1-19(33)24-6-7-25-23-5-4-21-16-22(8-12-28(21,2)26(23)9-13-29(24,25)3)32-35-18-27(34)31-17-20-10-14-30-15-11-20/h10-11,14-16,23-26H,4-9,12-13,17-18H2,1-3H3,(H,31,34)/b32-22-/t23?,24?,25?,26?,28-,29+/m0/s1InChIKey
PDMSRLCGHWRZSD-PWICSAEYSA-NSynonyms
16397172
2((((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(pyridin4ylmethyl)acetamide
InChI=1SC29H39N3O3c119(33)2467252354211622(81228(212)26(23)91329(2425)3)32351827(34)311720101430151120h101114162326H4912131718H213H3(H3134)b3222t23?24?25?26?2829+m0s1
MFCD02924996
O=C(CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C)NCc1ccncc1
ZINC000008740479
ZINC000257372863
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