Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]glycylvaline
Catalog ID
STL552954
SMILES CC(C(C(=O)O)NC(=O)CNC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C#C)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 C30H43N3O6 MW 541.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H43N3O6/c1-6-30(38)14-11-23-21-8-7-19-15-20(9-12-28(19,4)22(21)10-13-29(23,30)5)33-39-17-25(35)31-16-24(34)32-26(18(2)3)27(36)37/h1,15,18,21-23,26,38H,7-14,16-17H2,2-5H3,(H,31,35)(H,32,34)(H,36,37)/b33-20+/t21?,22?,23?,26?,28-,29-,30?/m0/s1InChIKey
SHERYDHOTYZNHC-BZUWILQCSA-NSynonyms
16397347
2((2((2((~(E))((10~(R)13~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)acetyl)amino)3methylbutanoicacid
2(2(2((((10R13S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)acetamido)3methylbutanoicacid
CC(C(C(=O)O)NC(=O)CNC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2(O)C#C)C)C)C
InChI=1SC30H43N3O6c1630(38)1411232187191520(91228(194)22(21)101329(2330)5)33391725(35)311624(34)3226(18(2)3)27(36)37h1151821232638H7141617H225H3(H3135)(H3234)(H3637)b3320+t21?22?23?26?282930?m0s1
N(((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)glycylvaline
ZINC000257372882
ZINC000257372885
Check stock
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