Vitas-M small molecule compound

1-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-(3-bromo-4-methoxybenzyl)piperazine

Catalog ID
STK135473
SMILES COc1ccc(cc1Br)CN1CCN(CC1)CC1CC2CC1C=C2

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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 C20H27BrN2O MW 391.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27BrN2O/c1-24-20-5-3-16(12-19(20)21)13-22-6-8-23(9-7-22)14-18-11-15-2-4-17(18)10-15/h2-5,12,15,17-18H,6-11,13-14H2,1H3
InChIKey
YYBQGKNCXLPPSM-UHFFFAOYSA-N
Synonyms

1((1R2S4R)BICYCLO(221)HEPT5EN2YLMETHYL)4(3BROMO4METHOXYBENZYL)PIPERAZINE
1(5BICYCLO(221)HEPT2ENYLMETHYL)4((3BROMO4METHOXYPHENYL)METHYL)PIPERAZINE
1(BICYCLO(221)HEPT5EN2YLMETHYL)4(3BROMO4METHOXYBENZYL)PIPERAZINE
COC1=C(C=C(C=C1)CN2CCN(CC2)CC3CC4CC3C=C4)Br
InChI=1SC20H27BrN2Oc124205316(1219(20)21)13226823(9722)141811152417(18)1015h2512151718H6111314H21H3
MFCD02213310
ZINC000100641986
ZINC000100641989

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Available files

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