Vitas-M small molecule compound

N-[({[(3Z,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glycylvaline

Catalog ID
STL546154
SMILES O=C(NCC(=O)NC(C(=O)O)C(C)C)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 C30H45N3O6 MW 543.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H45N3O6/c1-17(2)27(28(37)38)32-25(35)15-31-26(36)16-39-33-20-10-12-29(4)19(14-20)6-7-21-23-9-8-22(18(3)34)30(23,5)13-11-24(21)29/h14,17,21-24,27H,6-13,15-16H2,1-5H3,(H,31,36)(H,32,35)(H,37,38)/b33-20-/t21?,22?,23?,24?,27?,29-,30+/m0/s1
InChIKey
LIJRFLZASLDFJY-NEHMXDEBSA-N
Synonyms

135639731
2((2((2((~(Z))((10~(R)13~(S))17acetyl1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)acetyl)amino)3methylbutanoicacid
2(2(2((((8S9S10R13S14S17S)17acetyl1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)acetamido)3methylbutanoicacid
InChI=1SC30H45N3O6c117(2)27(28(37)38)3225(35)153126(36)16393320101229(4)19(1420)6721239822(18(3)34)30(235)131124(21)29h1417212427H6131516H215H3(H3136)(H3235)(H3738)b3320t21?22?23?24?27?2930+m0s1
MFCD02115744
N(((((3Z8xi9xi14xi17xi)20oxopregn4en3ylidene)amino)oxy)acetyl)glycylvaline
O=C(NCC(=O)NC(C(=O)O)C(C)C)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@@H)2C(=O)C)C)C
ZINC001772492686
ZINC001772492689

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Available files

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