Vitas-M small molecule compound
(2S,5S,6S,8S,9S)-2,4,6,8,9-pentaphenyl-1,3,7-triazabicyclo[3.3.1]non-3-ene
Catalog ID
STK689615
SMILES c1ccc(cc1)[C@H]1N[C@H](c2ccccc2)[C@H]2[C@H](N1[C@@H](N=C2c1ccccc1)c1ccccc1)c1ccccc1
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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 C36H31N3 MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H31N3/c1-6-16-26(17-7-1)32-31-33(27-18-8-2-9-19-27)38-36(30-24-14-5-15-25-30)39(34(31)28-20-10-3-11-21-28)35(37-32)29-22-12-4-13-23-29/h1-25,31-32,34-37H/t31-,32-,34-,35+,36-/m1/s1InChIKey
NYTHBZHYVKEOSQ-VPPIAZRMSA-NSynonyms
(2S5S6S8S9S)24689pentakisphenyl137triazabicyclo(331)non3ene
(2S5S6S8S9S)24689pentaphenyl137triazabicyclo(331)non3ene
C1=CC=C(C=C1)C2C3C(N(C(N2)C4=CC=CC=C4)C(N=C3C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
c1ccc(cc1)(C@H)1N(C@H)(c2ccccc2)(C@H)2(C@H)(N1(C@@H)(N=C2c1ccccc1)c1ccccc1)c1ccccc1
InChI=1SC36H31N3c161626(1771)323133(27188291927)3836(3024145152530)39(34(31)2820103112128)35(3732)2922124132329h12531323437Ht31323435+36m1s1
MFCD18246984
ZINC000100224221
ZINC100224221
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