Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[3-methoxy-4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK024702
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC(C)C)(C#N)C#N
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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 C30H29N5O4 MW 523.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5O4/c1-19(2)39-25-10-9-21(13-26(25)37-3)27-24-15-35(29(36)38-16-20-7-5-4-6-8-20)12-11-22(24)23(14-31)28(34)30(27,17-32)18-33/h4-11,13,19,24,27H,12,15-16,34H2,1-3H3/t24-,27+/m0/s1InChIKey
XLSAJSOSYGOYMV-RPLLCQBOSA-NSynonyms
303959-65-1(8S8aR)benzyl6amino577tricyano8(4isopropoxy3methoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303959651
benzyl(8S8aR)6amino577tricyano8(3methoxy4(propan2yloxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
benzyl(8S8aR)6amino577tricyano8(3methoxy4propan2yloxyphenyl)1388atetrahydroisoquinoline2carboxylate
CC(C)OC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)OC
InChI=1SC30H29N5O4c119(2)392510921(1326(25)373)27241535(29(36)3816207546820)121122(24)23(1431)28(34)30(271732)1833h41113192427H12151634H213H3t2427+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC(C)C)(C#N)C#N
STK024702
ZINC000026607751
ZINC26607751
Check stock
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Check stock on Vitas-MAvailable files
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