Vitas-M small molecule compound

benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxy-3-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK069741
SMILES CCCOc1cc(ccc1OC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1

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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/c1-3-13-38-26-14-21(9-10-25(26)37-2)27-24-16-35(29(36)39-17-20-7-5-4-6-8-20)12-11-22(24)23(15-31)28(34)30(27,18-32)19-33/h4-11,14,24,27H,3,12-13,16-17,34H2,1-2H3/t24-,27+/m0/s1
InChIKey
CZVZECCTZMNQCT-RPLLCQBOSA-N
Synonyms
500218-96-2
(8S8aR)benzyl6amino577tricyano8(4methoxy3propoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
500218962
benzyl(8S8aR)6amino577tricyano8(4methoxy3propoxyphenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino577tricyano8(4methoxy3propoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
CCCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)OC
CCCOc1cc(ccc1OC)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1
InChI=1SC30H29N5O4c131338261421(91025(26)372)27241635(29(36)3917207546820)121122(24)23(1531)28(34)30(271832)1933h411142427H31213161734H212H3t2427+m0s1
STK069741
ZINC000026680999
ZINC26680999

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Available files

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