Vitas-M small molecule compound
methyl 1-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]prolinate
Catalog ID
STL525373
SMILES COC(=O)C1CCCN1C(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=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 C29H42N2O5 MW 498.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42N2O5/c1-18(32)22-9-10-23-21-8-7-19-16-20(11-13-28(19,2)24(21)12-14-29(22,23)3)30-36-17-26(33)31-15-5-6-25(31)27(34)35-4/h16,21-25H,5-15,17H2,1-4H3/b30-20-/t21?,22?,23?,24?,25?,28-,29+/m0/s1InChIKey
RQSJGCMQZQAWHV-RROACIHVSA-NSynonyms
16396526
COC(=O)C1CCCN1C(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(=O)C)C)C
InChI=1SC29H42N2O5c118(32)22910232187191620(111328(192)24(21)121429(2223)3)30361726(33)31155625(31)27(34)354h162125H51517H214H3b3020t21?22?23?24?25?2829+m0s1
methyl1(((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)prolinate
methyl1(2(((Z)((10R13S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)pyrrolidine2carboxylate
methyl1(2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylate
MFCD01881453
ZINC000253499923
ZINC000253499926
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